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

Systemtic Name: [2-bromanyl-4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-6-ethoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-6-ethoxy-phenyl] ester Formula: C20H15BrClN3O6 MolecularWeight: 508.7066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br)OC(=O)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br)OC(=O)C

InChI

InChI=1S/C20H15BrClN3O6/c1-3-30-18-8-12(7-15(21)19(18)31-11(2)26)6-13(10-23)20(27)24-17-5-4-14(25(28)29)9-16(17)22/h4-9H,3H2,1-2H3,(H,24,27)/b13-6+