(phenylmethyl) N-[(2S)-5-ethoxy-4-nitro-5-oxidanyl-3-oxidanylidene-pent-4-en-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-5-ethoxy-4-nitro-5-oxidanyl-3-oxidanylidene-pent-4-en-2-yl]carbamate Openeye Name: benzyl N-[(1S)-4-ethoxy-4-hydroxy-1-methyl-3-nitro-2-oxo-but-3-enyl]carbamate CAS Name: N-[(2S)-5-ethoxy-5-hydroxy-4-nitro-3-oxopent-4-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-5-ethoxy-5-hydroxy-4-nitro-3-oxopent-4-en-2-yl]carbamate Traditional Name: N-[(1S)-4-ethoxy-4-hydroxy-2-keto-1-methyl-3-nitro-but-3-enyl]carbamic acid benzyl ester Formula: C15H18N2O7 MolecularWeight: 338.31262

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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)/t10-/m0/s1