(2S)-3-methyl-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]butanoic acid Traditional Name: (2S)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-3-methyl-butyric acid Formula: C15H14N2O7 MolecularWeight: 334.28086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O7/c1-7(2)12(14(19)20)16-13(18)10-6-8-5-9(17(22)23)3-4-11(8)24-15(10)21/h3-7,12H,1-2H3,(H,16,18)(H,19,20)/t12-/m0/s1