(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H21N3O8S MolecularWeight: 475.47174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O8S/c1-12-4-6-16-14(8-19(25)32-21(16)13(12)2)11-31-20(26)10-23-33(29,30)15-5-7-17(22-3)18(9-15)24(27)28/h4-9,22-23H,10-11H2,1-3H3