sodium (E)-(2-oxidanylidene-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanolate

Systemtic Name: sodium (E)-(2-oxidanylidene-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanolate Openeye Name: sodium (E)-(2-oxo-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanolate CAS Name: sodium (E)-(2-oxo-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanolate IUPAC Name: sodium (E)-(2-oxo-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanolate Traditional Name: sodium (E)-(2-keto-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanolate Formula: C16H11N2NaO2 MolecularWeight: 286.26051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=C[O-])N2.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)/C(=C\[O-])/N2.[Na+]

InChI

InChI=1S/C16H12N2O2.Na/c19-10-14-16(20)18-13-9-5-4-8-12(13)15(17-14)11-6-2-1-3-7-11;/h1-10,17,19H;/q;+1/p-1/b14-10+;