2,6-dimethyl-4-(1-methylpyrrol-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(1-methylpyrrol-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(1-methylpyrrol-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(1-methyl-2-pyrrolyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(1-methylpyrrol-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-(1-methylpyrrol-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CN2C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CN2C)C(=O)O

InChI

InChI=1S/C13H15N3O4/c1-7-10(13(17)18)11(9-5-4-6-15(9)3)12(16(19)20)8(2)14-7/h4-6,11,14H,1-3H3,(H,17,18)