N-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-propyl]-2-methyl-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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