N-(2-methylquinolin-8-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-methylquinolin-8-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-methyl-8-quinolyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-methyl-8-quinolinyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-methylquinolin-8-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-methyl-8-quinolyl)-3-nitro-4-pyrrolidino-benzamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C21H20N4O3/c1-14-7-8-15-5-4-6-17(20(15)22-14)23-21(26)16-9-10-18(19(13-16)25(27)28)24-11-2-3-12-24/h4-10,13H,2-3,11-12H2,1H3,(H,23,26)