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

Systemtic Name: N-[2-(2-methylpropylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(isobutylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[(2-methylpropylamino)-oxomethyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(2-methylpropylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(isobutylcarbamoyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-15(2)14-23-22(28)17-7-3-4-8-18(17)24-21(27)16-9-10-19(20(13-16)26(29)30)25-11-5-6-12-25/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,23,28)(H,24,27)