[4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H14ClN3O6 MolecularWeight: 415.78396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H14ClN3O6/c1-11(24)29-17-6-3-12(8-18(17)28-2)7-13(10-21)19(25)22-16-5-4-14(23(26)27)9-15(16)20/h3-9H,1-2H3,(H,22,25)/b13-7+