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

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4/c1-3-28-19-7-5-15(12-18(19)24(26)27)20(25)23-10-8-22(9-11-23)17-13-16(21)6-4-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3