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

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H15N3O9 MolecularWeight: 441.3478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O9/c1-3-31-19(24)14(11-21)6-12-4-5-17(18(7-12)30-2)32-20(25)13-8-15(22(26)27)10-16(9-13)23(28)29/h4-10H,3H2,1-2H3/b14-6+