4-(2-azanyl-2-oxidanylidene-ethyl)-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])CC(=O)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C14H19N5O4/c15-13(20)10-17-6-3-7-18(9-8-17)14(21)16-11-4-1-2-5-12(11)19(22)23/h1-2,4-5H,3,6-10H2,(H2,15,20)(H,16,21)