N-[4-(3-methylbutanoylamino)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C22H26N4O4/c1-15(2)13-21(27)23-16-5-7-17(8-6-16)24-22(28)19-14-18(26(29)30)9-10-20(19)25-11-3-4-12-25/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,23,27)(H,24,28)