N-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-[1-(2-chlorophenyl)ethyl]-1-piperazinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-[1-(2-chlorophenyl)ethyl]piperazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O4/c1-15(18-7-2-3-8-19(18)22)24-9-11-25(12-10-24)20(27)14-23-21(28)16-5-4-6-17(13-16)26(29)30/h2-8,13,15H,9-12,14H2,1H3,(H,23,28)