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

Systemtic Name: [4-[(E)-3-[(2-bromanyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate Openeye Name: [4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C18H12BrN3O5 MolecularWeight: 430.20898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H12BrN3O5/c1-11(23)27-15-5-2-12(3-6-15)8-13(10-20)18(24)21-17-7-4-14(22(25)26)9-16(17)19/h2-9H,1H3,(H,21,24)/b13-8+