methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-(6-methylpyridin-3-yl)oxy-5-nitro-benzoate

Systemtic Name: methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-(6-methylpyridin-3-yl)oxy-5-nitro-benzoate Openeye Name: methyl 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-[(6-methyl-3-pyridyl)oxy]-5-nitro-benzoate CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-[(6-methyl-3-pyridinyl)oxy]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-(6-methylpyridin-3-yl)oxy-5-nitrobenzoate Traditional Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-[(6-methyl-3-pyridyl)oxy]-5-nitro-benzoic acid methyl ester Formula: C17H18N4O7S MolecularWeight: 422.41242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N=CN(C)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)/N=C/N(C)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c1-11-5-6-13(9-18-11)28-16-14(21(23)24)7-12(17(22)27-4)8-15(16)29(25,26)19-10-20(2)3/h5-10H,1-4H3/b19-10+