4-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazino]methyl]-3-nitro-benzamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-15-4-3-5-16(2)21(15)24-20(28)14-26-10-8-25(9-11-26)13-18-7-6-17(22(23)29)12-19(18)27(30)31/h3-7,12H,8-11,13-14H2,1-2H3,(H2,23,29)(H,24,28)