[4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenyl] ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenyl] ethanoate Openeye Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]-2-iodo-6-methoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]-2-iodo-6-methoxy-phenyl] ester Formula: C19H14IN3O6 MolecularWeight: 507.23543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1I)C=C(C#N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1I)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H14IN3O6/c1-11(24)29-18-16(20)8-12(9-17(18)28-2)7-13(10-21)19(25)22-14-3-5-15(6-4-14)23(26)27/h3-9H,1-2H3,(H,22,25)/b13-7+