[(3S,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] 4-nitrobenzoate

Systemtic Name: [(3S,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] 4-nitrobenzoate Openeye Name: [(3S,6S)-6-(tert-butoxycarbonylamino)-7-oxo-azepan-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S,6S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-3-azepanyl] ester IUPAC Name: [(3S,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoazepan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S,6S)-6-(tert-butoxycarbonylamino)-7-keto-azepan-3-yl] ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CNC1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O7/c1-18(2,3)28-17(24)20-14-9-8-13(10-19-15(14)22)27-16(23)11-4-6-12(7-5-11)21(25)26/h4-7,13-14H,8-10H2,1-3H3,(H,19,22)(H,20,24)/t13-,14-/m0/s1