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

Systemtic Name: [2-oxidanylidene-3-(propylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-oxo-3-[oxo(propylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-3-(propylcarbamoyl)chromen-7-yl] ester Formula: C21H17N3O9 MolecularWeight: 455.37438

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C21H17N3O9/c1-3-6-22-19(25)15-7-12-4-5-14(10-18(12)33-21(15)27)32-20(26)13-8-16(23(28)29)11(2)17(9-13)24(30)31/h4-5,7-10H,3,6H2,1-2H3,(H,22,25)