(2S)-3-(4-hydroxyphenyl)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]propionic acid Formula: C19H14N2O8 MolecularWeight: 398.32306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)O

InChI

InChI=1S/C19H14N2O8/c22-13-4-1-10(2-5-13)7-15(18(24)25)20-17(23)14-9-11-8-12(21(27)28)3-6-16(11)29-19(14)26/h1-6,8-9,15,22H,7H2,(H,20,23)(H,24,25)/t15-/m0/s1