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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]phenyl] ester Formula: C23H14BrN3O5 MolecularWeight: 492.27836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H14BrN3O5/c24-18-5-3-16(4-6-18)23(29)32-21-11-1-15(2-12-21)13-17(14-25)22(28)26-19-7-9-20(10-8-19)27(30)31/h1-13H,(H,26,28)/b17-13+