tert-butyl (3R)-1-(cyanomethyl)-8-methoxy-7-nitro-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl (3R)-1-(cyanomethyl)-8-methoxy-7-nitro-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate Openeye Name: tert-butyl (3R)-1-(cyanomethyl)-8-methoxy-7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate CAS Name: (3R)-1-(cyanomethyl)-8-methoxy-7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-1-(cyanomethyl)-8-methoxy-7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate Traditional Name: (3R)-1-(cyanomethyl)-2-keto-8-methoxy-7-nitro-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC2=CC(=C(C=C2N(C1=O)CC#N)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCC2=CC(=C(C=C2N(C1=O)CC#N)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6/c1-18(2,3)27-17(23)12-6-5-11-9-14(21(24)25)15(26-4)10-13(11)20(8-7-19)16(12)22/h9-10,12H,5-6,8H2,1-4H3/t12-/m1/s1