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

Systemtic Name: tert-butyl 7-nitro-8-oxidanyl-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: tert-butyl 8-hydroxy-7-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 8-hydroxy-7-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-hydroxy-7-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 8-hydroxy-2-keto-7-nitro-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O6/c1-15(2,3)23-14(20)9-5-4-8-6-11(17(21)22)12(18)7-10(8)16-13(9)19/h6-7,9,18H,4-5H2,1-3H3,(H,16,19)