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

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

Click to see the large picture

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

Isomeric SMILES

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

InChI

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