[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C19H13N3O8 MolecularWeight: 411.32182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC)[N+](=O)[O-]

InChI

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