(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20N2O9S MolecularWeight: 476.4565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O9S/c1-13-3-5-16-14(10-21(25)32-19(16)9-13)12-31-20(24)7-8-22-33(28,29)15-4-6-18(30-2)17(11-15)23(26)27/h3-6,9-11,22H,7-8,12H2,1-2H3