N-(cyanomethyl)-2-[(3,4-dinitrophenyl)amino]propanamide

Systemtic Name: N-(cyanomethyl)-2-[(3,4-dinitrophenyl)amino]propanamide Openeye Name: N-(cyanomethyl)-2-(3,4-dinitroanilino)propanamide CAS Name: N-(cyanomethyl)-2-(3,4-dinitroanilino)propanamide IUPAC Name: N-(cyanomethyl)-2-(3,4-dinitroanilino)propanamide Traditional Name: N-(cyanomethyl)-2-(3,4-dinitroanilino)propionamide Formula: C11H11N5O5 MolecularWeight: 293.23554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5O5/c1-7(11(17)13-5-4-12)14-8-2-3-9(15(18)19)10(6-8)16(20)21/h2-3,6-7,14H,5H2,1H3,(H,13,17)