2-[5-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[5-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Openeye Name: 2-[5-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid CAS Name: 2-[5-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid IUPAC Name: 2-[5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Traditional Name: 2-[3-[(2-ethoxy-2-keto-ethyl)carbamoyl]-5-keto-3-pyrazolin-1-yl]benzene-1,4-disulfonic acid Formula: C14H15N3O10S2 MolecularWeight: 449.413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CC(=O)N(N1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CC(=O)N(N1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H15N3O10S2/c1-2-27-13(19)7-15-14(20)9-6-12(18)17(16-9)10-5-8(28(21,22)23)3-4-11(10)29(24,25)26/h3-6,16H,2,7H2,1H3,(H,15,20)(H,21,22,23)(H,24,25,26)