[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1H-indazole-6-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1H-indazole-6-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1H-indazole-6-carboxylate CAS Name: 1H-indazole-6-carboxylic acid [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate Traditional Name: 1H-indazole-6-carboxylic acid [2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC3=C(C=C2)C=NN3

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC3=C(C=C2)C=NN3

InChI

InChI=1S/C20H21N3O5/c1-12(28-20(25)14-5-6-15-11-22-23-16(15)9-14)19(24)21-10-13-4-7-17(26-2)18(8-13)27-3/h4-9,11-12H,10H2,1-3H3,(H,21,24)(H,22,23)