N-[(E)-1-(4-bromophenyl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-(benzylcarbamoyl)-2-(4-bromophenyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-(4-bromophenyl)-3-oxo-3-[(phenylmethyl)amino]prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-3-(benzylamino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-(benzylcarbamoyl)-2-(4-bromophenyl)vinyl]-4-nitro-benzamide Formula: C23H18BrN3O4 MolecularWeight: 480.31072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H18BrN3O4/c24-19-10-6-16(7-11-19)14-21(23(29)25-15-17-4-2-1-3-5-17)26-22(28)18-8-12-20(13-9-18)27(30)31/h1-14H,15H2,(H,25,29)(H,26,28)/b21-14+