sodium 3-[(E)-(4-isocyano-5-oxidanylidene-1,3-diphenyl-pyrrol-2-ylidene)methyl]-1H-indole-6-carboxylate

Systemtic Name: sodium 3-[(E)-(4-isocyano-5-oxidanylidene-1,3-diphenyl-pyrrol-2-ylidene)methyl]-1H-indole-6-carboxylate Openeye Name: sodium 3-[(E)-(4-isocyano-5-oxo-1,3-diphenyl-pyrrol-2-ylidene)methyl]-1H-indole-6-carboxylate CAS Name: sodium 3-[(E)-(4-isocyano-5-oxo-1,3-diphenyl-2-pyrrolylidene)methyl]-1H-indole-6-carboxylate IUPAC Name: sodium 3-[(E)-(4-isocyano-5-oxo-1,3-diphenylpyrrol-2-ylidene)methyl]-1H-indole-6-carboxylate Traditional Name: sodium 3-[(E)-(4-isocyano-5-keto-1,3-diphenyl-3-pyrrolin-2-ylidene)methyl]-1H-indole-6-carboxylate Formula: C27H16N3NaO3 MolecularWeight: 453.42401

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C(=CC2=CNC3=C2C=CC(=C3)C(=O)[O-])N(C1=O)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

Isomeric SMILES

[C-]#[N+]C1=C(/C(=C\C2=CNC3=C2C=CC(=C3)C(=O)[O-])/N(C1=O)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C27H17N3O3.Na/c1-28-25-24(17-8-4-2-5-9-17)23(30(26(25)31)20-10-6-3-7-11-20)15-19-16-29-22-14-18(27(32)33)12-13-21(19)22;/h2-16,29H,(H,32,33);/q;+1/p-1/b23-15+;