[3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic 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-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O6/c1-3-27-19(23)16(12-21)10-14-5-4-6-17(11-14)28-20(24)15-7-8-18(22(25)26)13(2)9-15/h4-11H,3H2,1-2H3/b16-10+