6-(acetyloxymethyl)-3-ethyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid

Systemtic Name: 6-(acetyloxymethyl)-3-ethyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid Openeye Name: 6-(acetoxymethyl)-3-ethyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid CAS Name: 6-(acetyloxymethyl)-3-ethyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid IUPAC Name: 6-(acetyloxymethyl)-3-ethyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid Traditional Name: 6-(acetoxymethyl)-3-ethyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)COC(=O)C

Isomeric SMILES

CCC1=NNC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)COC(=O)C

InChI

InChI=1S/C16H17N3O6/c1-3-12-14(10-5-4-6-11(7-10)19(23)24)15(16(21)22)13(18-17-12)8-25-9(2)20/h4-7,14,18H,3,8H2,1-2H3,(H,21,22)