N-(3-nitrophenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethyl]-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-nitrophenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(isopropylamino)-2-keto-ethyl]-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c1-13(2)18-16(23)12-20-7-4-8-21(10-9-20)17(24)19-14-5-3-6-15(11-14)22(25)26/h3,5-6,11,13H,4,7-10,12H2,1-2H3,(H,18,23)(H,19,24)