CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
CAS: 951-97-3
Name: 2-acetamido-4-nitrobenzoic acid
SMILES: CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

Molecular Processing

Molecular formula
C9H8N2O5
Molecular weight
224.17
Exact mass
224.0433
XLogP
1.25
TPSA
109.54
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
54.36

Supplementary Information

InChIKey: OAYHLMVCNPUEPI-UHFFFAOYSA-N
Synonyme
951-97-32-(Acetylamino)-4-nitrobenzoic acidBenzoic acid, 2-(acetylamino)-4-nitro-Anthranilic acid, N-acetyl-4-nitro-NSC 49165EINECS 213-458-3NSC 25215NSC 86569DTXSID3061346RefChem:118325DTXCID1048960Anthranilic acid, N-acetyl-4-nitro-(8CI)2-Acetamido-4-nitrobenzoic acid2-acetylamino-4-nitrobenzoic acid2-Acetylamino-4-nitro-benzoic acidMFCD000247242-ACETAMINO-4-NITROBENZOIC ACID4-nitro-N-acetyl-anthranilic acidOprea1_794740SCHEMBL51565712-acetamido-4-nitro-benzoic acidALBB-025892NSC25215NSC49165NSC86569NSC-25215NSC-49165NSC-86569SBB072733STK365757
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