methyl (2S)-2-(methoxycarbonylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl (2S)-2-(methoxycarbonylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: methyl (2S)-3-(4-hydroxy-3-nitro-phenyl)-2-(methoxycarbonylamino)propanoate CAS Name: (2S)-3-(4-hydroxy-3-nitrophenyl)-2-(methoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxy-3-nitrophenyl)-2-(methoxycarbonylamino)propanoate Traditional Name: (2S)-2-(carbomethoxyamino)-3-(4-hydroxy-3-nitro-phenyl)propionic acid methyl ester Formula: C12H14N2O7 MolecularWeight: 298.24876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)OC

InChI

InChI=1S/C12H14N2O7/c1-20-11(16)8(13-12(17)21-2)5-7-3-4-10(15)9(6-7)14(18)19/h3-4,6,8,15H,5H2,1-2H3,(H,13,17)/t8-/m0/s1