4-[[6-methoxy-3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]methyl]benzamide

Systemtic Name: 4-[[6-methoxy-3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]methyl]benzamide Openeye Name: 4-[[6-methoxy-3-(4-methylbenzoyl)-1-oxido-indazol-1-ium-2-yl]methyl]benzamide CAS Name: 4-[[6-methoxy-3-[(4-methylphenyl)-oxomethyl]-1-oxido-2-indazol-1-iumyl]methyl]benzamide IUPAC Name: 4-[[6-methoxy-3-(4-methylbenzoyl)-1-oxidoindazol-1-ium-2-yl]methyl]benzamide Traditional Name: 4-[(6-methoxy-1-oxido-3-p-toluoyl-indazol-1-ium-2-yl)methyl]benzamide Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CC4=CC=C(C=C4)C(=O)N)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CC4=CC=C(C=C4)C(=O)N)[O-])OC

InChI

InChI=1S/C24H21N3O4/c1-15-3-7-17(8-4-15)23(28)22-20-12-11-19(31-2)13-21(20)27(30)26(22)14-16-5-9-18(10-6-16)24(25)29/h3-13H,14H2,1-2H3,(H2,25,29)