[3-(cyclohexylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3-nitrobenzoate

Systemtic Name: [3-(cyclohexylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(cyclohexylcarbamoyl)-2-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[(cyclohexylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(cyclohexylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C23H20N2O7 MolecularWeight: 436.4141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C23H20N2O7/c26-21(24-16-6-2-1-3-7-16)19-12-14-9-10-18(13-20(14)32-23(19)28)31-22(27)15-5-4-8-17(11-15)25(29)30/h4-5,8-13,16H,1-3,6-7H2,(H,24,26)