4-imidazol-1-yl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide

Systemtic Name: 4-imidazol-1-yl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-[2-(isobutyrylamino)ethyl]-3-nitro-benzamide Formula: C16H19N5O4 MolecularWeight: 345.35316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-11(2)15(22)18-5-6-19-16(23)12-3-4-13(14(9-12)21(24)25)20-8-7-17-10-20/h3-4,7-11H,5-6H2,1-2H3,(H,18,22)(H,19,23)