tert-butyl 2-[(3-acetamidophenyl)methyl]-3-oxidanylidene-indazole-1-carboxylate

Systemtic Name: tert-butyl 2-[(3-acetamidophenyl)methyl]-3-oxidanylidene-indazole-1-carboxylate Openeye Name: tert-butyl 2-[(3-acetamidophenyl)methyl]-3-oxo-indazole-1-carboxylate CAS Name: 2-[(3-acetamidophenyl)methyl]-3-oxo-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-acetamidophenyl)methyl]-3-oxoindazole-1-carboxylate Traditional Name: 2-(3-acetamidobenzyl)-3-keto-indazoline-1-carboxylic acid tert-butyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3N2C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3N2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H23N3O4/c1-14(25)22-16-9-7-8-15(12-16)13-23-19(26)17-10-5-6-11-18(17)24(23)20(27)28-21(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)