4-ethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[2-[4-(m-tolyl)piperazino]ethyl]-3-nitro-benzamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-3-30-21-8-7-18(16-20(21)26(28)29)22(27)23-9-10-24-11-13-25(14-12-24)19-6-4-5-17(2)15-19/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27)