sodium 2-[(4-carboxyphenyl)carbonylamino]-1-ethyl-4-(propanoylamino)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: sodium 2-[(4-carboxyphenyl)carbonylamino]-1-ethyl-4-(propanoylamino)cyclohexa-2,4-diene-1-carboxylate Openeye Name: sodium 2-[(4-carboxybenzoyl)amino]-1-ethyl-4-(propanoylamino)cyclohexa-2,4-diene-1-carboxylate CAS Name: sodium 2-[[(4-carboxyphenyl)-oxomethyl]amino]-1-ethyl-4-(1-oxopropylamino)-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: sodium 2-[(4-carboxybenzoyl)amino]-1-ethyl-4-(propanoylamino)cyclohexa-2,4-diene-1-carboxylate Traditional Name: sodium 2-[(4-carboxybenzoyl)amino]-1-ethyl-4-propionamido-cyclohexa-2,4-diene-1-carboxylate Formula: C20H21N2NaO6 MolecularWeight: 408.38031

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CCC(C(=C1)NC(=O)C2=CC=C(C=C2)C(=O)O)(CC)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(=O)NC1=CCC(C(=C1)NC(=O)C2=CC=C(C=C2)C(=O)O)(CC)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H22N2O6.Na/c1-3-16(23)21-14-9-10-20(4-2,19(27)28)15(11-14)22-17(24)12-5-7-13(8-6-12)18(25)26;/h5-9,11H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28);/q;+1/p-1