2-bromanyl-6-[[2-[(4-nitrophenyl)amino]ethylamino]methylidene]-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 2-bromanyl-6-[[2-[(4-nitrophenyl)amino]ethylamino]methylidene]-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-2-bromo-6-[[2-(4-nitroanilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[2-(4-nitroanilino)ethylamino]methylidene]-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-2-bromo-6-[[2-(4-nitroanilino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-2-bromo-6-[[2-(4-nitroanilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CNCCNC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C(=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CNCCNC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C(=C2)Br

InChI

InChI=1S/C22H20BrN3O3/c23-21-14-17(12-16-4-2-1-3-5-16)13-18(22(21)27)15-24-10-11-25-19-6-8-20(9-7-19)26(28)29/h1-9,13-15,24-25H,10-12H2