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

Systemtic Name: [2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(allylcarbamoyl)-2-oxo-chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-3-[oxo-(prop-2-enylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(allylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C20H13N3O9 MolecularWeight: 439.33192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCNC(=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/C20H13N3O9/c1-2-5-21-18(24)16-8-11-3-4-15(10-17(11)32-20(16)26)31-19(25)12-6-13(22(27)28)9-14(7-12)23(29)30/h2-4,6-10H,1,5H2,(H,21,24)