sodium (3Z)-3-[[4-[(3-aminophenyl)carbonylamino]-5-methoxy-2-methyl-phenyl]hydrazinylidene]-6-oxidanylidene-5-sulfo-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: sodium (3Z)-3-[[4-[(3-aminophenyl)carbonylamino]-5-methoxy-2-methyl-phenyl]hydrazinylidene]-6-oxidanylidene-5-sulfo-cyclohexa-1,4-diene-1-carboxylate Openeye Name: sodium (3Z)-3-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methyl-phenyl]hydrazono]-6-oxo-5-sulfo-cyclohexa-1,4-diene-1-carboxylate CAS Name: sodium (3Z)-3-[[4-[[(3-aminophenyl)-oxomethyl]amino]-5-methoxy-2-methylphenyl]hydrazinylidene]-6-oxo-5-sulfo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: sodium (3Z)-3-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]hydrazinylidene]-6-oxo-5-sulfocyclohexa-1,4-diene-1-carboxylate Traditional Name: sodium (3Z)-3-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methyl-phenyl]hydrazono]-6-keto-5-sulfo-cyclohexa-1,4-diene-1-carboxylate Formula: C22H19N4NaO8S MolecularWeight: 522.46303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NN=C2C=C(C(=O)C(=C2)S(=O)(=O)O)C(=O)[O-])OC)NC(=O)C3=CC(=CC=C3)N.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N/N=C\2/C=C(C(=O)C(=C2)S(=O)(=O)O)C(=O)[O-])OC)NC(=O)C3=CC(=CC=C3)N.[Na+]

InChI

InChI=1S/C22H20N4O8S.Na/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33;/h3-10,26H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33);/q;+1/p-1/b25-14-;