(4S)-1-ethoxy-2-nitro-3-oxidanylidene-4-(phenylmethoxycarbonylamino)pent-1-en-1-olate

Systemtic Name: (4S)-1-ethoxy-2-nitro-3-oxidanylidene-4-(phenylmethoxycarbonylamino)pent-1-en-1-olate Openeye Name: (4S)-4-(benzyloxycarbonylamino)-1-ethoxy-2-nitro-3-oxo-pent-1-en-1-olate CAS Name: (4S)-1-ethoxy-2-nitro-3-oxo-4-(phenylmethoxycarbonylamino)-1-penten-1-olate IUPAC Name: (4S)-1-ethoxy-2-nitro-3-oxo-4-(phenylmethoxycarbonylamino)pent-1-en-1-olate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-1-ethoxy-3-keto-2-nitro-pent-1-en-1-olate Formula: C15H17N2O7- MolecularWeight: 337.30468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C(C)NC(=O)OCC1=CC=CC=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=C(C(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H18N2O7/c1-3-23-14(19)12(17(21)22)13(18)10(2)16-15(20)24-9-11-7-5-4-6-8-11/h4-8,10,19H,3,9H2,1-2H3,(H,16,20)/p-1/t10-/m0/s1