2-[(6-methoxypyridazin-3-yl)carbamoyl]-4-nitro-benzoic acid

Systemtic Name: 2-[(6-methoxypyridazin-3-yl)carbamoyl]-4-nitro-benzoic acid Openeye Name: 2-[(6-methoxypyridazin-3-yl)carbamoyl]-4-nitro-benzoic acid CAS Name: 2-[[(6-methoxy-3-pyridazinyl)amino]-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[(6-methoxypyridazin-3-yl)carbamoyl]-4-nitrobenzoic acid Traditional Name: 2-[(6-methoxypyridazin-3-yl)carbamoyl]-4-nitro-benzoic acid Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=NN=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H10N4O6/c1-23-11-5-4-10(15-16-11)14-12(18)9-6-7(17(21)22)2-3-8(9)13(19)20/h2-6H,1H3,(H,19,20)(H,14,15,18)