4-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(diethylamino)-2-oxo-ethyl]-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(diethylamino)-2-oxoethyl]-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(diethylamino)-2-oxoethyl]-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(diethylamino)-2-keto-ethyl]-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c1-3-21(4-2)17(24)14-20-10-7-11-22(13-12-20)18(25)19-15-8-5-6-9-16(15)23(26)27/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,19,25)