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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(cyclopropylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4/c23-17(20-14-6-7-14)12-19-18(24)13-5-8-15(16(11-13)22(25)26)21-9-3-1-2-4-10-21/h5,8,11,14H,1-4,6-7,9-10,12H2,(H,19,24)(H,20,23)