tert-butyl 7-azanyl-8-methoxy-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 7-azanyl-8-methoxy-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: tert-butyl 7-amino-8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 7-amino-8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 7-amino-2-keto-8-methoxy-1,3,4,5-tetrahydro-1-benzazepine-3-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)C1CCC2=CC(=C(C=C2NC1=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC2=CC(=C(C=C2NC1=O)OC)N

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)10-6-5-9-7-11(17)13(21-4)8-12(9)18-14(10)19/h7-8,10H,5-6,17H2,1-4H3,(H,18,19)