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

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C17H24N4O4 MolecularWeight: 348.39686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O4/c1-12(2)16(22)18-7-8-19-17(23)13-5-6-14(15(11-13)21(24)25)20-9-3-4-10-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,22)(H,19,23)