methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate

Systemtic Name: methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate Openeye Name: methyl 3-(tert-butoxycarbonylamino)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-2-keto-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid methyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)OC

InChI

InChI=1S/C16H21N3O5/c1-16(2,3)24-14(21)18-11-9-19(15(22)23-4)12-8-6-5-7-10(12)17-13(11)20/h5-8,11H,9H2,1-4H3,(H,17,20)(H,18,21)