(5-chloranyl-2-methoxy-phenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[4-[3-(methylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazino]methanone Formula: C19H21ClN4O4 MolecularWeight: 404.84744

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O4/c1-21-16-12-14(4-5-17(16)24(26)27)22-7-9-23(10-8-22)19(25)15-11-13(20)3-6-18(15)28-2/h3-6,11-12,21H,7-10H2,1-2H3