[3-(cyclohexylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [3-(cyclohexylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3-nitro-benzoate Openeye Name: [3-(cyclohexylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [3-[(cyclohexylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [3-(cyclohexylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O7/c1-14-7-8-16(12-20(14)26(30)31)23(28)32-18-10-9-15-11-19(24(29)33-21(15)13-18)22(27)25-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,25,27)