6-[[[5-(4-bromophenyl)-2-(phenylmethyl)pyrazol-3-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[5-(4-bromophenyl)-2-(phenylmethyl)pyrazol-3-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-benzyl-5-(4-bromophenyl)pyrazol-3-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[5-(4-bromophenyl)-2-(phenylmethyl)-3-pyrazolyl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-benzyl-5-(4-bromophenyl)pyrazol-3-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-benzyl-5-(4-bromophenyl)pyrazol-3-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H17BrN4O3 MolecularWeight: 477.31008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)Br)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)Br)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C23H17BrN4O3/c24-19-8-6-17(7-9-19)21-13-23(27(26-21)15-16-4-2-1-3-5-16)25-14-18-12-20(28(30)31)10-11-22(18)29/h1-14,25H,15H2