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

Systemtic Name: methyl 2,3-bis(oxidanylidene)-1,4-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylate Openeye Name: methyl 2,3-dioxo-1,4-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylate CAS Name: 2,3-dioxo-1,4-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylic acid methyl ester IUPAC Name: methyl 2,3-dioxo-1,4-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylate Traditional Name: 2,3-diketo-1,4-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium-10a-carboxylic acid methyl ester Formula: C25H20N3O4+ MolecularWeight: 426.444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12C(=C(NC3=CC=CC=C3[NH2+]1)C4=CC=CC=C4)C(=O)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

COC(=O)C12C(=C(NC3=CC=CC=C3[NH2+]1)C4=CC=CC=C4)C(=O)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O4/c1-32-24(31)25-20(22(29)23(30)28(25)17-12-6-3-7-13-17)21(16-10-4-2-5-11-16)26-18-14-8-9-15-19(18)27-25/h2-15,26-27H,1H3/p+1