[2-methyl-3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-methyl-3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-methyl-3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [4-keto-2-methyl-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C26H22N2O8S MolecularWeight: 522.52648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N2O8S/c1-16-3-10-21(11-4-16)37(33,34)27-14-13-24(29)36-20-9-12-22-23(15-20)35-17(2)25(26(22)30)18-5-7-19(8-6-18)28(31)32/h3-12,15,27H,13-14H2,1-2H3