[3-(4-nitrophenyl)-4-oxidanylidene-chromen-6-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [3-(4-nitrophenyl)-4-oxidanylidene-chromen-6-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [3-(4-nitrophenyl)-4-oxo-chromen-6-yl] 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-6-yl] ester IUPAC Name: [3-(4-nitrophenyl)-4-oxochromen-6-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid [4-keto-3-(4-nitrophenyl)chromen-6-yl] ester Formula: C25H20N2O8S MolecularWeight: 508.4999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CC3=C(C=C2)OC=C(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CC3=C(C=C2)OC=C(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O8S/c1-15-3-10-20(11-4-15)36(32,33)26-16(2)25(29)35-19-9-12-23-21(13-19)24(28)22(14-34-23)17-5-7-18(8-6-17)27(30)31/h3-14,16,26H,1-2H3