[3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: [3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-nitrophenyl)-4-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid [4-keto-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C31H28N2O8 MolecularWeight: 556.56262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H28N2O8/c34-29-26-15-14-25(16-28(26)39-19-27(29)22-10-12-24(13-11-22)33(37)38)41-30(35)23-8-6-20(7-9-23)17-32-31(36)40-18-21-4-2-1-3-5-21/h1-5,10-16,19-20,23H,6-9,17-18H2,(H,32,36)