3-[6-methoxy-3-(3,4,5-trimethoxyphenyl)carbonyl-2H-indazol-7-yl]prop-2-ynoic acid

Systemtic Name: 3-[6-methoxy-3-(3,4,5-trimethoxyphenyl)carbonyl-2H-indazol-7-yl]prop-2-ynoic acid Openeye Name: 3-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)-2H-indazol-7-yl]prop-2-ynoic acid CAS Name: 3-[6-methoxy-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-7-yl]-2-propynoic acid IUPAC Name: 3-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)-2H-indazol-7-yl]prop-2-ynoic acid Traditional Name: 3-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)-2H-indazol-7-yl]propiolic acid Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=NNC(=C2C=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#CC(=O)O

Isomeric SMILES

COC1=C(C2=NNC(=C2C=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#CC(=O)O

InChI

InChI=1S/C21H18N2O7/c1-27-14-7-5-13-18(12(14)6-8-17(24)25)22-23-19(13)20(26)11-9-15(28-2)21(30-4)16(10-11)29-3/h5,7,9-10H,1-4H3,(H,22,23)(H,24,25)