[3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C19H13N3O8 MolecularWeight: 411.32182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H13N3O8/c1-2-29-18(23)14(11-20)6-12-4-3-5-17(7-12)30-19(24)13-8-15(21(25)26)10-16(9-13)22(27)28/h3-10H,2H2,1H3/b14-6+