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

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-benzofurazan-4-yl-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)O

InChI

InChI=1S/C14H12N4O5/c1-6-10(14(19)20)11(13(18(21)22)7(2)15-6)8-4-3-5-9-12(8)17-23-16-9/h3-5,11,15H,1-2H3,(H,19,20)