sodium 2-[(4Z)-4-[1-azanyl-3-(4-methoxy-3-oxidanyl-phenyl)propylidene]-5-oxidanyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanoate

Systemtic Name: sodium 2-[(4Z)-4-[1-azanyl-3-(4-methoxy-3-oxidanyl-phenyl)propylidene]-5-oxidanyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanoate Openeye Name: sodium 2-[(4Z)-4-[1-amino-3-(3-hydroxy-4-methoxy-phenyl)propylidene]-5-hydroxy-3-oxo-cyclohexa-1,5-dien-1-yl]oxyacetate CAS Name: sodium 2-[[(4Z)-4-[1-amino-3-(3-hydroxy-4-methoxyphenyl)propylidene]-5-hydroxy-3-oxo-1-cyclohexa-1,5-dienyl]oxy]acetate IUPAC Name: sodium 2-[(4Z)-4-[1-amino-3-(3-hydroxy-4-methoxyphenyl)propylidene]-5-hydroxy-3-oxocyclohexa-1,5-dien-1-yl]oxyacetate Traditional Name: sodium 2-[(4Z)-4-[1-amino-3-(3-hydroxy-4-methoxy-phenyl)propylidene]-5-hydroxy-3-keto-cyclohexa-1,5-dien-1-yl]oxyacetate Formula: C18H18NNaO7 MolecularWeight: 383.32779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=C2C(=CC(=CC2=O)OCC(=O)[O-])O)N)O.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)CC/C(=C/2\C(=CC(=CC2=O)OCC(=O)[O-])O)/N)O.[Na+]

InChI

InChI=1S/C18H19NO7.Na/c1-25-16-5-3-10(6-13(16)20)2-4-12(19)18-14(21)7-11(8-15(18)22)26-9-17(23)24;/h3,5-8,20-21H,2,4,9,19H2,1H3,(H,23,24);/q;+1/p-1/b18-12-;