2-bromanyl-N-butyl-N-([1,3]dioxolo[4,5-g]quinolin-8-yl)-4-nitro-benzamide

Systemtic Name: 2-bromanyl-N-butyl-N-([1,3]dioxolo[4,5-g]quinolin-8-yl)-4-nitro-benzamide Openeye Name: 2-bromo-N-butyl-N-([1,3]dioxolo[4,5-g]quinolin-8-yl)-4-nitro-benzamide CAS Name: 2-bromo-N-butyl-N-([1,3]dioxolo[4,5-g]quinolin-8-yl)-4-nitrobenzamide IUPAC Name: 2-bromo-N-butyl-N-([1,3]dioxolo[4,5-g]quinolin-8-yl)-4-nitrobenzamide Traditional Name: 2-bromo-N-butyl-N-([1,3]dioxolo[4,5-g]quinolin-8-yl)-4-nitro-benzamide Formula: C21H18BrN3O5 MolecularWeight: 472.28872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C2C=C3C(=CC2=NC=C1)OCO3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

CCCCN(C1=C2C=C3C(=CC2=NC=C1)OCO3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H18BrN3O5/c1-2-3-8-24(21(26)14-5-4-13(25(27)28)9-16(14)22)18-6-7-23-17-11-20-19(10-15(17)18)29-12-30-20/h4-7,9-11H,2-3,8,12H2,1H3