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

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N-methyl-3-nitro-benzamide Formula: C26H34N4O6 MolecularWeight: 498.57136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OCC

InChI

InChI=1S/C26H34N4O6/c1-4-35-23-13-11-20(17-24(23)36-5-2)27-25(31)18-28(3)26(32)19-10-12-21(22(16-19)30(33)34)29-14-8-6-7-9-15-29/h10-13,16-17H,4-9,14-15,18H2,1-3H3,(H,27,31)