2-[2,5-bis(oxidanylidene)-3-phenyl-pyrrol-1-yl]ethyl 3,5-dinitrobenzoate

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3-phenyl-pyrrol-1-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 2-(2,5-dioxo-3-phenyl-pyrrol-1-yl)ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(2,5-dioxo-3-phenyl-1-pyrrolyl)ethyl ester IUPAC Name: 2-(2,5-dioxo-3-phenylpyrrol-1-yl)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(2,5-diketo-3-phenyl-3-pyrrolin-1-yl)ethyl ester Formula: C19H13N3O8 MolecularWeight: 411.32182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C2=O)CCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C2=O)CCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O8/c23-17-11-16(12-4-2-1-3-5-12)18(24)20(17)6-7-30-19(25)13-8-14(21(26)27)10-15(9-13)22(28)29/h1-5,8-11H,6-7H2