sodium 3-[(Z)-[4-isocyano-3-(4-methylphenyl)-5-oxidanylidene-furan-2-ylidene]methyl]-1H-indole-6-carboxylate

Systemtic Name: sodium 3-[(Z)-[4-isocyano-3-(4-methylphenyl)-5-oxidanylidene-furan-2-ylidene]methyl]-1H-indole-6-carboxylate Openeye Name: sodium 3-[(Z)-[4-isocyano-5-oxo-3-(p-tolyl)-2-furylidene]methyl]-1H-indole-6-carboxylate CAS Name: sodium 3-[(Z)-[4-isocyano-3-(4-methylphenyl)-5-oxo-2-furanylidene]methyl]-1H-indole-6-carboxylate IUPAC Name: sodium 3-[(Z)-[4-isocyano-3-(4-methylphenyl)-5-oxofuran-2-ylidene]methyl]-1H-indole-6-carboxylate Traditional Name: sodium 3-[(Z)-[4-isocyano-5-keto-3-(p-tolyl)-2-furylidene]methyl]-1H-indole-6-carboxylate Formula: C22H13N2NaO4 MolecularWeight: 392.33939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)OC2=CC3=CNC4=C3C=CC(=C4)C(=O)[O-])[N+]#[C-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C\2=C(C(=O)O/C2=C\C3=CNC4=C3C=CC(=C4)C(=O)[O-])[N+]#[C-].[Na+]

InChI

InChI=1S/C22H14N2O4.Na/c1-12-3-5-13(6-4-12)19-18(28-22(27)20(19)23-2)10-15-11-24-17-9-14(21(25)26)7-8-16(15)17;/h3-11,24H,1H3,(H,25,26);/q;+1/p-1/b18-10-;