9-chloranyl-5-oxidanyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one; 4-methoxy-4-oxidanylidene-butanoate

Systemtic Name: 9-chloranyl-5-oxidanyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one; 4-methoxy-4-oxidanylidene-butanoate Openeye Name: 9-chloro-5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one; 4-methoxy-4-oxo-butanoate CAS Name: 9-chloro-5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one; 4-methoxy-4-oxobutanoate IUPAC Name: 9-chloro-5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one; 4-methoxy-4-oxobutanoate Traditional Name: 9-chloro-5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one; 4-keto-4-methoxy-butyrate Formula: C23H19ClN3O6- MolecularWeight: 468.86646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)[O-].C1=CC=C(C=C1)C2=NC(C3=NC(=O)C=CN3C4=C2C=C(C=C4)Cl)O

Isomeric SMILES

COC(=O)CCC(=O)[O-].C1=CC=C(C=C1)C2=NC(C3=NC(=O)C=CN3C4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C18H12ClN3O2.C5H8O4/c19-12-6-7-14-13(10-12)16(11-4-2-1-3-5-11)21-18(24)17-20-15(23)8-9-22(14)17;1-9-5(8)3-2-4(6)7/h1-10,18,24H;2-3H2,1H3,(H,6,7)/p-1