COC1=C(C=CC(=C1)C(=O)NC(CO)C(=O)OC)[N+](=O)[O-]
Name: methyl (2S)-3-hydroxy-2-[(3-methoxy-4-nitrobenzoyl)amino]propanoate
SMILES: COC1=C(C=CC(=C1)C(=O)NC(CO)C(=O)OC)[N+](=O)[O-]

Molecular Processing

Molecular formula
C12H14N2O7
Molecular weight
298.25
Exact mass
298.0801
XLogP
-0.13
TPSA
128
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
70

Supplementary Information

InChIKey: UEZWMEITXZQIIN-QMMMGPOBSA-N
Synonyms
SCHEMBL2823137UEZWMEITXZQIIN-QMMMGPOBSA-NN-(3-Methoxy-4-nitrobenzoyl)serine methyl ester
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Involved in 4 reactions→

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