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

Systemtic Name: 4-azanyl-N-(1-chloranyl-3-methyl-2-oxidanylidene-pentan-3-yl)-3-nitro-benzamide Openeye Name: 4-amino-N-(3-chloro-1-ethyl-1-methyl-2-oxo-propyl)-3-nitro-benzamide CAS Name: 4-amino-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-3-nitrobenzamide IUPAC Name: 4-amino-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-3-nitrobenzamide Traditional Name: 4-amino-N-(3-chloro-1-ethyl-2-keto-1-methyl-propyl)-3-nitro-benzamide Formula: C13H16ClN3O4 MolecularWeight: 313.73684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4/c1-3-13(2,11(18)7-14)16-12(19)8-4-5-9(15)10(6-8)17(20)21/h4-6H,3,7,15H2,1-2H3,(H,16,19)