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

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]propionic acid methyl ester Formula: C20H16N2O8 MolecularWeight: 412.34964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H16N2O8/c1-29-20(26)16(8-11-2-5-14(23)6-3-11)21-18(24)15-10-12-9-13(22(27)28)4-7-17(12)30-19(15)25/h2-7,9-10,16,23H,8H2,1H3,(H,21,24)/t16-/m0/s1