methyl 3-(4-hydroxyphenyl)-2-[(8-methyl-6-nitro-7-oxidanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(4-hydroxyphenyl)-2-[(8-methyl-6-nitro-7-oxidanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate Openeye Name: methyl 2-[(7-hydroxy-8-methyl-6-nitro-2-oxo-chromene-3-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[(7-hydroxy-8-methyl-6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(7-hydroxy-8-methyl-6-nitro-2-oxochromene-3-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[(7-hydroxy-2-keto-8-methyl-6-nitro-chromene-3-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C21H18N2O9 MolecularWeight: 442.37562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C21H18N2O9/c1-10-17(25)16(23(29)30)9-12-8-14(20(27)32-18(10)12)19(26)22-15(21(28)31-2)7-11-3-5-13(24)6-4-11/h3-6,8-9,15,24-25H,7H2,1-2H3,(H,22,26)