3-chloranyl-5-nitro-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-chloranyl-5-nitro-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-3-chloro-5-nitro-benzamide CAS Name: 3-chloro-5-nitro-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-chloro-5-nitrobenzamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-3-chloro-5-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4/c21-17-10-16(11-18(12-17)25(28)29)20(27)22-13-19(26)24-8-6-23(7-9-24)14-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2,(H,22,27)