methyl 2-[3-nitro-4-[(4-oxidanylcyclohexyl)amino]phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[3-nitro-4-[(4-oxidanylcyclohexyl)amino]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[(4-hydroxycyclohexyl)amino]-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-[(4-hydroxycyclohexyl)amino]-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-hydroxycyclohexyl)amino]-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-[(4-hydroxycyclohexyl)amino]-3-nitro-benzoyl]benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-29-21(26)17-5-3-2-4-16(17)20(25)13-6-11-18(19(12-13)23(27)28)22-14-7-9-15(24)10-8-14/h2-6,11-12,14-15,22,24H,7-10H2,1H3