N-(2-azanyl-2-oxidanylidene-ethyl)-4-(azepan-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-(azepan-1-yl)-3-nitro-benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-(azepan-1-yl)-3-nitro-benzamide CAS Name: N-(2-amino-2-oxoethyl)-4-(1-azepanyl)-3-nitrobenzamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-(azepan-1-yl)-3-nitrobenzamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-(azepan-1-yl)-3-nitro-benzamide Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4/c16-14(20)10-17-15(21)11-5-6-12(13(9-11)19(22)23)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H2,16,20)(H,17,21)