4-[(2-chlorophenyl)methyl]-2-nitro-6-[[(4-piperazin-1-ylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-2-nitro-6-[[(4-piperazin-1-ylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-[(2-chlorophenyl)methyl]-2-nitro-6-[(4-piperazin-1-ylanilino)methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-[(2-chlorophenyl)methyl]-2-nitro-6-[[4-(1-piperazinyl)anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-[(2-chlorophenyl)methyl]-2-nitro-6-[(4-piperazin-1-ylanilino)methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-(2-chlorobenzyl)-2-nitro-6-[(4-piperazinoanilino)methylene]cyclohexa-2,4-dien-1-one Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H23ClN4O3/c25-22-4-2-1-3-18(22)13-17-14-19(24(30)23(15-17)29(31)32)16-27-20-5-7-21(8-6-20)28-11-9-26-10-12-28/h1-8,14-16,26-27H,9-13H2