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

Systemtic Name: 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C3C(=CC=C2)ONO3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C3C(=CC=C2)ONO3)C(=O)O

InChI

InChI=1S/C14H13N3O6/c1-6-10(14(18)19)11(12(17(20)21)7(2)15-6)8-4-3-5-9-13(8)23-16-22-9/h3-5,11,15-16H,1-2H3,(H,18,19)