[3-(cyclohexylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-(cyclohexylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(cyclohexylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-[(cyclohexylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(cyclohexylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C24H21N3O9 MolecularWeight: 495.43824

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H21N3O9/c1-13-19(26(31)32)10-15(11-20(13)27(33)34)23(29)35-17-8-7-14-9-18(24(30)36-21(14)12-17)22(28)25-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,25,28)