methyl (2S)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]propionic acid methyl ester Formula: C14H12N2O8 MolecularWeight: 336.25368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C14H12N2O8/c1-23-14(20)10(6-17)15-12(18)9-5-7-4-8(16(21)22)2-3-11(7)24-13(9)19/h2-5,10,17H,6H2,1H3,(H,15,18)/t10-/m0/s1