methyl 1-(4-methoxyphenyl)-2,3-bis(oxidanylidene)-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylate chloride

Systemtic Name: methyl 1-(4-methoxyphenyl)-2,3-bis(oxidanylidene)-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylate chloride Openeye Name: methyl 1-(4-methoxyphenyl)-2,3-dioxo-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylate chloride CAS Name: 1-(4-methoxyphenyl)-2,3-dioxo-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylic acid methyl ester chloride IUPAC Name: methyl 1-(4-methoxyphenyl)-2,3-dioxo-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylate chloride Traditional Name: 2,3-diketo-1-(4-methoxyphenyl)-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylic acid methyl ester chloride Formula: C26H22ClN3O5 MolecularWeight: 491.92298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4[NH2+]C32C(=O)OC)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4[NH2+]C32C(=O)OC)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H21N3O5.ClH/c1-33-18-14-12-17(13-15-18)29-24(31)23(30)21-22(16-8-4-3-5-9-16)27-19-10-6-7-11-20(19)28-26(21,29)25(32)34-2;/h3-15,27-28H,1-2H3;1H