methyl 2-(7-bromanyl-3-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate

Systemtic Name: methyl 2-(7-bromanyl-3-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: methyl 2-(7-bromo-3-hydroxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(7-bromo-3-hydroxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-bromo-3-hydroxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(7-bromo-3-hydroxy-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid methyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)C(=NC(C1=O)O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)C(=NC(C1=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H15BrN2O4/c1-25-15(22)10-21-14-8-7-12(19)9-13(14)16(20-17(23)18(21)24)11-5-3-2-4-6-11/h2-9,17,23H,10H2,1H3