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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-24-14-7-6-12(10-13(14)19(22)23)16(21)17-11-15(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,21)