(3-chlorophenyl)-[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chlorophenyl)-[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (3-chlorophenyl)-[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]methanone CAS Name: (3-chlorophenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-chlorophenyl)-[4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (3-chlorophenyl)-[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazino]methanone Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O3/c22-17-5-3-4-16(14-17)21(27)25-12-10-24(11-13-25)19-7-6-18(26(28)29)15-20(19)23-8-1-2-9-23/h1-9,14-15H,10-13H2