1-[(2-methyl-3-nitro-phenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid

Systemtic Name: 1-[(2-methyl-3-nitro-phenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid Openeye Name: 1-[(2-methyl-3-nitro-phenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid CAS Name: 1-[(2-methyl-3-nitrophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid IUPAC Name: 1-[(2-methyl-3-nitrophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid Traditional Name: 6-keto-1-(2-methyl-3-nitro-benzyl)-4,5-dihydropyridazine-3-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CN2C(=O)CCC(=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CN2C(=O)CCC(=N2)C(=O)O

InChI

InChI=1S/C13H13N3O5/c1-8-9(3-2-4-11(8)16(20)21)7-15-12(17)6-5-10(14-15)13(18)19/h2-4H,5-7H2,1H3,(H,18,19)