(4-methyl-2-oxidanylidene-chromen-7-yl) 3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 3-(2-chloro-4-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]propanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 3-(2-chloro-4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]propionic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C19H14ClNO6S MolecularWeight: 419.83556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCSC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCSC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClNO6S/c1-11-8-19(23)27-16-10-13(3-4-14(11)16)26-18(22)6-7-28-17-5-2-12(21(24)25)9-15(17)20/h2-5,8-10H,6-7H2,1H3