sodium 4-[(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxo-butanoate CAS Name: sodium 4-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoate IUPAC Name: sodium 4-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoate Traditional Name: sodium 4-[(7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-keto-butyrate Formula: C19H14ClN2NaO5 MolecularWeight: 408.76763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)CCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C19H15ClN2O5.Na/c20-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)22-19(18(26)21-14)27-16(25)9-8-15(23)24;/h1-7,10,19H,8-9H2,(H,21,26)(H,23,24);/q;+1/p-1