(E)-3-[4-(3-diazanyl-6-oxidanylidene-pyridazin-1-yl)sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-diazanyl-6-oxidanylidene-pyridazin-1-yl)sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-hydrazino-6-oxo-pyridazin-1-yl)sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-hydrazinyl-6-oxo-1-pyridazinyl)sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-hydrazinyl-6-oxopyridazin-1-yl)sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-hydrazino-6-keto-pyridazin-1-yl)sulfonylphenyl]acrylic acid Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)NN

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)NN

InChI

InChI=1S/C13H12N4O5S/c14-15-11-6-7-12(18)17(16-11)23(21,22)10-4-1-9(2-5-10)3-8-13(19)20/h1-8H,14H2,(H,15,16)(H,19,20)/b8-3+