(2S)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]propionic acid Formula: C13H10N2O8 MolecularWeight: 322.2271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C13H10N2O8/c16-5-9(12(18)19)14-11(17)8-4-6-3-7(15(21)22)1-2-10(6)23-13(8)20/h1-4,9,16H,5H2,(H,14,17)(H,18,19)/t9-/m0/s1