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

Systemtic Name: [2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-3-(phenethylcarbamoyl)chromen-7-yl] ester Formula: C25H17N3O9 MolecularWeight: 503.41718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC2=O

InChI

InChI=1S/C25H17N3O9/c29-23(26-9-8-15-4-2-1-3-5-15)21-12-16-6-7-20(14-22(16)37-25(21)31)36-24(30)17-10-18(27(32)33)13-19(11-17)28(34)35/h1-7,10-14H,8-9H2,(H,26,29)