sodium 5-chloranyl-2-[(E)-3-[2-(4-hydroxyphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoate

Systemtic Name: sodium 5-chloranyl-2-[(E)-3-[2-(4-hydroxyphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoate Openeye Name: sodium 5-chloro-2-[(E)-3-[2-(4-hydroxybenzoyl)pyrrol-1-yl]prop-1-enyl]benzoate CAS Name: sodium 5-chloro-2-[(E)-3-[2-[(4-hydroxyphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]benzoate IUPAC Name: sodium 5-chloro-2-[(E)-3-[2-(4-hydroxybenzoyl)pyrrol-1-yl]prop-1-enyl]benzoate Traditional Name: sodium 5-chloro-2-[(E)-3-[2-(4-hydroxybenzoyl)pyrrol-1-yl]prop-1-enyl]benzoate Formula: C21H15ClNNaO4 MolecularWeight: 403.79087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C(=O)C2=CC=C(C=C2)O)CC=CC3=C(C=C(C=C3)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CN(C(=C1)C(=O)C2=CC=C(C=C2)O)C/C=C/C3=C(C=C(C=C3)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H16ClNO4.Na/c22-16-8-5-14(18(13-16)21(26)27)3-1-11-23-12-2-4-19(23)20(25)15-6-9-17(24)10-7-15;/h1-10,12-13,24H,11H2,(H,26,27);/q;+1/p-1/b3-1+;