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

Systemtic Name: N-[3-(butanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(butanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[3-(1-oxobutylamino)phenyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(butanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-butyramidophenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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