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

Systemtic Name: (2S)-4-methyl-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]pentanoic acid Traditional Name: (2S)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-4-methyl-valeric acid Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7/c1-8(2)5-12(15(20)21)17-14(19)11-7-9-6-10(18(23)24)3-4-13(9)25-16(11)22/h3-4,6-8,12H,5H2,1-2H3,(H,17,19)(H,20,21)/t12-/m0/s1