CC1(C2=C(C=CC(=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)C4=C1NC5=C4C=C(C=C5)[N+](=O)[O-])C
Name: tert-butyl 4-[(6,6-dimethyl-2-nitro-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]piperidine-1-carboxylate
SMILES: CC1(C2=C(C=CC(=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)C4=C1NC5=C4C=C(C=C5)[N+](=O)[O-])C

Molecular Processing

Molecular formula
C28H31N3O6
Molecular weight
505.57
Exact mass
505.2213
XLogP
5.72
TPSA
114.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
138.41

Supplementary Information

InChIKey: BPVHDGLWCSPKJB-UHFFFAOYSA-N
Synonyme
SCHEMBL897017BPVHDGLWCSPKJB-UHFFFAOYSA-N4-(6,6-dimethyl-2-nitro-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-8-yl oxy)-piperidine-1-carboxylic acid tert-butyl ester
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