4-chloranyl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(isobutyrylamino)ethyl]-3-nitro-benzamide Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN3O4/c1-8(2)12(18)15-5-6-16-13(19)9-3-4-10(14)11(7-9)17(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,19)