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

Systemtic Name: tert-butyl 8-methoxy-7-nitro-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: tert-butyl 8-methoxy-7-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 8-methoxy-7-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-methoxy-7-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 2-keto-8-methoxy-7-nitro-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC2=CC(=C(C=C2NC1=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC2=CC(=C(C=C2NC1=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-16(2,3)24-15(20)10-6-5-9-7-12(18(21)22)13(23-4)8-11(9)17-14(10)19/h7-8,10H,5-6H2,1-4H3,(H,17,19)