N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxidanylidene-quinolin-2-yl]-3-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxidanylidene-quinolin-2-yl]-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-2-quinolyl]-3-nitro-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-2-quinolinyl]-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-1-methyl-2-quinolyl]-3-nitro-benzamide Formula: C24H17N3O6 MolecularWeight: 443.40828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H17N3O6/c1-26-18-8-3-2-7-17(18)22(28)21(14-9-10-19-20(12-14)33-13-32-19)23(26)25-24(29)15-5-4-6-16(11-15)27(30)31/h2-12H,13H2,1H3,(H,25,29)