4-methyl-2-nitro-N-(2-oxidanylideneazepan-3-yl)-3-phenylmethoxy-benzamide

Systemtic Name: 4-methyl-2-nitro-N-(2-oxidanylideneazepan-3-yl)-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-4-methyl-2-nitro-N-(2-oxoazepan-3-yl)benzamide CAS Name: 4-methyl-2-nitro-N-(2-oxo-3-azepanyl)-3-phenylmethoxybenzamide IUPAC Name: 4-methyl-2-nitro-N-(2-oxoazepan-3-yl)-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-(2-ketoazepan-3-yl)-4-methyl-2-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)NC2CCCCNC2=O)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)NC2CCCCNC2=O)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5/c1-14-10-11-16(20(25)23-17-9-5-6-12-22-21(17)26)18(24(27)28)19(14)29-13-15-7-3-2-4-8-15/h2-4,7-8,10-11,17H,5-6,9,12-13H2,1H3,(H,22,26)(H,23,25)