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

Systemtic Name: N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(isobutyrylamino)-3-methoxy-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-14(2)21(27)24-17-8-7-16(13-20(17)31-3)23-22(28)15-6-9-18(19(12-15)26(29)30)25-10-4-5-11-25/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,23,28)(H,24,27)