N-(5-azanyl-5-oxidanylidene-pentan-2-yl)-4-nitro-benzamide

Systemtic Name: N-(5-azanyl-5-oxidanylidene-pentan-2-yl)-4-nitro-benzamide Openeye Name: N-(4-amino-1-methyl-4-oxo-butyl)-4-nitro-benzamide CAS Name: N-(5-amino-5-oxopentan-2-yl)-4-nitrobenzamide IUPAC Name: N-(5-amino-5-oxopentan-2-yl)-4-nitrobenzamide Traditional Name: N-(4-amino-4-keto-1-methyl-butyl)-4-nitro-benzamide Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4/c1-8(2-7-11(13)16)14-12(17)9-3-5-10(6-4-9)15(18)19/h3-6,8H,2,7H2,1H3,(H2,13,16)(H,14,17)