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

Systemtic Name: [3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-nitrophenyl)-4-oxochromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [4-keto-3-(4-nitrophenyl)chromen-7-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)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)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(=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O8S/c1-16-2-9-20(10-3-16)36(32,33)26-13-12-24(28)35-19-8-11-21-23(14-19)34-15-22(25(21)29)17-4-6-18(7-5-17)27(30)31/h2-11,14-15,26H,12-13H2,1H3