2-[2-[4-(azepan-1-yl)-3-nitro-phenyl]carbonylhydrazinyl]-2-oxidanylidene-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-yl)-3-nitro-phenyl]carbonylhydrazinyl]-2-oxidanylidene-N-propan-2-yl-ethanamide Openeye Name: 2-[2-[4-(azepan-1-yl)-3-nitro-benzoyl]hydrazino]-N-isopropyl-2-oxo-acetamide CAS Name: 2-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]hydrazo]-2-oxo-N-propan-2-ylacetamide IUPAC Name: 2-[2-[4-(azepan-1-yl)-3-nitrobenzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide Traditional Name: 2-[N'-[4-(azepan-1-yl)-3-nitro-benzoyl]hydrazino]-N-isopropyl-2-keto-acetamide Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=O)NNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C(=O)NNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O5/c1-12(2)19-17(25)18(26)21-20-16(24)13-7-8-14(15(11-13)23(27)28)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,25)(H,20,24)(H,21,26)