sodium 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine nitrite

Systemtic Name: sodium 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine nitrite Openeye Name: sodium 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine nitrite CAS Name: sodium 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine nitrite IUPAC Name: sodium 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine nitrite Traditional Name: sodium (7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)-methyl-amine nitrite Formula: C16H14ClN4NaO3 MolecularWeight: 368.75013

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.N(=O)[O-].[Na+]

Isomeric SMILES

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.N(=O)[O-].[Na+]

InChI

InChI=1S/C16H14ClN3O.HNO2.Na/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;2-1-3;/h2-9,21H,10H2,1H3;(H,2,3);/q;;+1/p-1