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

Systemtic Name: (2S)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-3-phenyl-propionic acid Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O7/c22-17(20-15(18(23)24)8-11-4-2-1-3-5-11)14-10-12-9-13(21(26)27)6-7-16(12)28-19(14)25/h1-7,9-10,15H,8H2,(H,20,22)(H,23,24)/t15-/m0/s1