N-[4-(2-cyanopropan-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-21(2,14-22)16-6-8-17(9-7-16)23-20(26)15-5-10-18(19(13-15)25(27)28)24-11-3-4-12-24/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)