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

Systemtic Name: [4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenyl] ethanoate Openeye Name: [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-iodo-6-methoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-iodo-6-methoxy-phenyl] ester Formula: C19H13ClIN3O6 MolecularWeight: 541.68049

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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=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClIN3O6/c1-10(25)30-18-15(21)6-11(7-17(18)29-2)5-12(9-22)19(26)23-16-4-3-13(24(27)28)8-14(16)20/h3-8H,1-2H3,(H,23,26)/b12-5+