tert-butyl 2-(hydroxymethyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate

Systemtic Name: tert-butyl 2-(hydroxymethyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Openeye Name: tert-butyl 2-(hydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate CAS Name: 2-(hydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(hydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Traditional Name: 3-keto-4-methyl-2-methylol-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid tert-butyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)NC(C(=O)N(C2)C)CO

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)NC(C(=O)N(C2)C)CO

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)10-5-6-12-11(7-10)8-18(4)14(20)13(9-19)17-12/h5-7,13,17,19H,8-9H2,1-4H3