[3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [2-oxo-3-(sec-butylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(butan-2-ylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butan-2-ylcarbamoyl)-2-oxochromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-3-(sec-butylcarbamoyl)chromen-7-yl] ester Formula: C21H17N3O9 MolecularWeight: 455.37438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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