tert-butyl 5-(2-methoxy-2-oxidanylidene-ethyl)-8-[(4-nitrophenyl)methoxycarbonylamino]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate

Systemtic Name: tert-butyl 5-(2-methoxy-2-oxidanylidene-ethyl)-8-[(4-nitrophenyl)methoxycarbonylamino]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Openeye Name: tert-butyl 5-(2-methoxy-2-oxo-ethyl)-8-[(4-nitrophenyl)methoxycarbonylamino]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate CAS Name: 5-(2-methoxy-2-oxoethyl)-8-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-methoxy-2-oxoethyl)-8-[(4-nitrophenyl)methoxycarbonylamino]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Traditional Name: 5-(2-keto-2-methoxy-ethyl)-8-[(4-nitrobenzyl)oxycarbonylamino]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester Formula: C26H31N3O8 MolecularWeight: 513.53964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C2=C(C1)C=C(C=C2)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C2=C(C1)C=C(C=C2)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C26H31N3O8/c1-26(2,3)37-25(32)28-12-11-18(14-23(30)35-4)22-10-7-20(13-19(22)15-28)27-24(31)36-16-17-5-8-21(9-6-17)29(33)34/h5-10,13,18H,11-12,14-16H2,1-4H3,(H,27,31)