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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methyl-4-nitro-anilino)prop-1-enyl]phenyl] ester Formula: C24H16BrN3O5 MolecularWeight: 506.30494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C24H16BrN3O5/c1-15-12-20(28(31)32)8-11-22(15)27-23(29)18(14-26)13-16-2-9-21(10-3-16)33-24(30)17-4-6-19(25)7-5-17/h2-13H,1H3,(H,27,29)/b18-13+