sodium 4-[(4-fluorophenyl)methyl]-1-[(Z)-N-methoxy-C-methyl-carbonimidoyl]pyrrole-3-carboxylate

Systemtic Name: sodium 4-[(4-fluorophenyl)methyl]-1-[(Z)-N-methoxy-C-methyl-carbonimidoyl]pyrrole-3-carboxylate Openeye Name: sodium 4-[(4-fluorophenyl)methyl]-1-[(Z)-N-methoxy-C-methyl-carbonimidoyl]pyrrole-3-carboxylate CAS Name: sodium 4-[(4-fluorophenyl)methyl]-1-[(1Z)-1-methoxyiminoethyl]-3-pyrrolecarboxylate IUPAC Name: sodium 4-[(4-fluorophenyl)methyl]-1-[(Z)-N-methoxy-C-methylcarbonimidoyl]pyrrole-3-carboxylate Traditional Name: sodium 4-(4-fluorobenzyl)-1-[(Z)-N-methoxy-C-methyl-carbonimidoyl]pyrrole-3-carboxylate Formula: C15H14FN2NaO3 MolecularWeight: 312.271433

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC)N1C=C(C(=C1)C(=O)[O-])CC2=CC=C(C=C2)F.[Na+]

Isomeric SMILES

C/C(=N/OC)/N1C=C(C(=C1)C(=O)[O-])CC2=CC=C(C=C2)F.[Na+]

InChI

InChI=1S/C15H15FN2O3.Na/c1-10(17-21-2)18-8-12(14(9-18)15(19)20)7-11-3-5-13(16)6-4-11;/h3-6,8-9H,7H2,1-2H3,(H,19,20);/q;+1/p-1/b17-10-;