sodium (5E)-8-chloranyl-2-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethylidene)-3,4-dihydro-1H-1-benzazepine-3-carboxylate

Systemtic Name: sodium (5E)-8-chloranyl-2-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethylidene)-3,4-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: sodium (5E)-5-(2-anilino-2-oxo-ethylidene)-8-chloro-2-oxo-3,4-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: sodium (5E)-5-(2-anilino-2-oxoethylidene)-8-chloro-2-oxo-3,4-dihydro-1H-1-benzazepine-3-carboxylate IUPAC Name: sodium (5E)-5-(2-anilino-2-oxoethylidene)-8-chloro-2-oxo-3,4-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: sodium (5E)-5-(2-anilino-2-keto-ethylidene)-8-chloro-2-keto-3,4-dihydro-1H-1-benzazepine-3-carboxylate Formula: C19H14ClN2NaO4 MolecularWeight: 392.76823

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C(C1=CC(=O)NC3=CC=CC=C3)C=CC(=C2)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C\1C(C(=O)NC2=C(/C1=C/C(=O)NC3=CC=CC=C3)C=CC(=C2)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H15ClN2O4.Na/c20-12-6-7-14-11(9-17(23)21-13-4-2-1-3-5-13)8-15(19(25)26)18(24)22-16(14)10-12;/h1-7,9-10,15H,8H2,(H,21,23)(H,22,24)(H,25,26);/q;+1/p-1/b11-9+;