N-(cyanomethyl)-2-[(3-nitrophenyl)amino]propanamide

Systemtic Name: N-(cyanomethyl)-2-[(3-nitrophenyl)amino]propanamide Openeye Name: N-(cyanomethyl)-2-(3-nitroanilino)propanamide CAS Name: N-(cyanomethyl)-2-(3-nitroanilino)propanamide IUPAC Name: N-(cyanomethyl)-2-(3-nitroanilino)propanamide Traditional Name: N-(cyanomethyl)-2-(3-nitroanilino)propionamide Formula: C11H12N4O3 MolecularWeight: 248.23798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#N)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC#N)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3/c1-8(11(16)13-6-5-12)14-9-3-2-4-10(7-9)15(17)18/h2-4,7-8,14H,6H2,1H3,(H,13,16)