2-[(E)-dimethylaminomethylideneamino]-6-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-[(E)-dimethylaminomethylideneamino]-6-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-[(E)-dimethylaminomethyleneamino]-6-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-[(E)-dimethylaminomethylideneamino]-6-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-[(E)-dimethylaminomethylideneamino]-6-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-[(E)-dimethylaminomethyleneamino]-5-mesyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N=CN(C)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)/N=C/N(C)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C17H20N4O6S/c1-10-15(28(4,26)27)13(11-7-5-6-8-12(11)21(24)25)14(17(22)23)16(19-10)18-9-20(2)3/h5-9,13,19H,1-4H3,(H,22,23)/b18-9+