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

Systemtic Name: N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl]-3-methyl-4-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4/c1-14-12-15(6-7-17(14)25(28)29)20(27)22-13-19(26)24-10-8-23(9-11-24)18-5-3-2-4-16(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,27)