3-[3-(4-bromophenyl)-1-[(4-nitrophenyl)amino]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 3-[3-(4-bromophenyl)-1-[(4-nitrophenyl)amino]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 3-[3-(4-bromophenyl)-1-(4-nitroanilino)-3-oxo-propyl]benzonitrile CAS Name: 3-[3-(4-bromophenyl)-1-(4-nitroanilino)-3-oxopropyl]benzonitrile IUPAC Name: 3-[3-(4-bromophenyl)-1-(4-nitroanilino)-3-oxopropyl]benzonitrile Traditional Name: 3-[3-(4-bromophenyl)-3-keto-1-(4-nitroanilino)propyl]benzonitrile Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CC(=O)C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(CC(=O)C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H16BrN3O3/c23-18-6-4-16(5-7-18)22(27)13-21(17-3-1-2-15(12-17)14-24)25-19-8-10-20(11-9-19)26(28)29/h1-12,21,25H,13H2