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

Systemtic Name: N-[3-(2-methylpropanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(2-methylpropanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(2-methylpropanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(isobutyrylamino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-14(2)20(26)22-16-6-5-7-17(13-16)23-21(27)15-8-9-18(19(12-15)25(28)29)24-10-3-4-11-24/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,27)