3,4-bis(azanyl)-N-(1-chloranyl-3-methyl-2-oxidanylidene-pentan-3-yl)-5-nitro-benzamide

Systemtic Name: 3,4-bis(azanyl)-N-(1-chloranyl-3-methyl-2-oxidanylidene-pentan-3-yl)-5-nitro-benzamide Openeye Name: 3,4-diamino-N-(3-chloro-1-ethyl-1-methyl-2-oxo-propyl)-5-nitro-benzamide CAS Name: 3,4-diamino-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-5-nitrobenzamide IUPAC Name: 3,4-diamino-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-5-nitrobenzamide Traditional Name: 3,4-diamino-N-(3-chloro-1-ethyl-2-keto-1-methyl-propyl)-5-nitro-benzamide Formula: C13H17ClN4O4 MolecularWeight: 328.75148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N)N

Isomeric SMILES

CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N)N

InChI

InChI=1S/C13H17ClN4O4/c1-3-13(2,10(19)6-14)17-12(20)7-4-8(15)11(16)9(5-7)18(21)22/h4-5H,3,6,15-16H2,1-2H3,(H,17,20)