4-[6-methoxy-3-(4-methoxyphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]butanamide

Systemtic Name: 4-[6-methoxy-3-(4-methoxyphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]butanamide Openeye Name: 4-[6-methoxy-3-(4-methoxybenzoyl)-1-oxido-indazol-1-ium-2-yl]butanamide CAS Name: 4-[6-methoxy-3-[(4-methoxyphenyl)-oxomethyl]-1-oxido-2-indazol-1-iumyl]butanamide IUPAC Name: 4-[6-methoxy-3-(4-methoxybenzoyl)-1-oxidoindazol-1-ium-2-yl]butanamide Traditional Name: 4-(6-methoxy-1-oxido-3-p-anisoyl-indazol-1-ium-2-yl)butyramide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])OC

InChI

InChI=1S/C20H21N3O5/c1-27-14-7-5-13(6-8-14)20(25)19-16-10-9-15(28-2)12-17(16)23(26)22(19)11-3-4-18(21)24/h5-10,12H,3-4,11H2,1-2H3,(H2,21,24)