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

Systemtic Name: [4-[(E)-3-[(2-bromanyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate Openeye Name: [4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C20H16BrN3O6 MolecularWeight: 474.26154

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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-])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-])Br)OC(=O)C

InChI

InChI=1S/C20H16BrN3O6/c1-3-29-19-9-13(4-7-18(19)30-12(2)25)8-14(11-22)20(26)23-17-6-5-15(24(27)28)10-16(17)21/h4-10H,3H2,1-2H3,(H,23,26)/b14-8+