4-(azepan-1-yl)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(2-ethylanilino)-2-keto-ethyl]-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-2-17-9-5-6-10-19(17)25-22(28)16-24-23(29)18-11-12-20(21(15-18)27(30)31)26-13-7-3-4-8-14-26/h5-6,9-12,15H,2-4,7-8,13-14,16H2,1H3,(H,24,29)(H,25,28)