2-[(2Z)-2-[1-ethyl-4-methyl-2,6-bis(oxidanylidene)-5-propanoyl-pyridin-3-ylidene]hydrazinyl]-5-sulfo-benzoic acid

Systemtic Name: 2-[(2Z)-2-[1-ethyl-4-methyl-2,6-bis(oxidanylidene)-5-propanoyl-pyridin-3-ylidene]hydrazinyl]-5-sulfo-benzoic acid Openeye Name: 2-[(2Z)-2-(1-ethyl-4-methyl-2,6-dioxo-5-propanoyl-3-pyridylidene)hydrazino]-5-sulfo-benzoic acid CAS Name: 2-[(2Z)-2-[1-ethyl-4-methyl-2,6-dioxo-5-(1-oxopropyl)-3-pyridinylidene]hydrazinyl]-5-sulfobenzoic acid IUPAC Name: 2-[(2Z)-2-(1-ethyl-4-methyl-2,6-dioxo-5-propanoylpyridin-3-ylidene)hydrazinyl]-5-sulfobenzoic acid Traditional Name: 2-[(N'Z)-N'-(1-ethyl-2,6-diketo-4-methyl-5-propionyl-3-pyridylidene)hydrazino]-5-sulfo-benzoic acid Formula: C18H19N3O8S MolecularWeight: 437.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=NNC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)C(=O)N(C1=O)CC)C

Isomeric SMILES

CCC(=O)C1=C(/C(=N/NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)/C(=O)N(C1=O)CC)C

InChI

InChI=1S/C18H19N3O8S/c1-4-13(22)14-9(3)15(17(24)21(5-2)16(14)23)20-19-12-7-6-10(30(27,28)29)8-11(12)18(25)26/h6-8,19H,4-5H2,1-3H3,(H,25,26)(H,27,28,29)/b20-15-