N-butyl-3-nitro-N-[(2-oxidanylidene-1H-quinolin-3-yl)methyl]benzamide

Systemtic Name: N-butyl-3-nitro-N-[(2-oxidanylidene-1H-quinolin-3-yl)methyl]benzamide Openeye Name: N-butyl-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide CAS Name: N-butyl-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide IUPAC Name: N-butyl-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide Traditional Name: N-butyl-N-[(2-keto-1H-quinolin-3-yl)methyl]-3-nitro-benzamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC2=CC=CC=C2NC1=O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC2=CC=CC=C2NC1=O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-2-3-11-23(21(26)16-8-6-9-18(13-16)24(27)28)14-17-12-15-7-4-5-10-19(15)22-20(17)25/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,25)