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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-14(2)21(27)23-17-8-6-15(3)18(13-17)24-22(28)16-7-9-19(20(12-16)26(29)30)25-10-4-5-11-25/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,23,27)(H,24,28)