3-[[5,7-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-6-yl]methylamino]benzoate

Systemtic Name: 3-[[5,7-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-6-yl]methylamino]benzoate Openeye Name: 3-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methylamino]benzoate CAS Name: 3-[(5,7-dioxo-6-pyrrolo[3,4-b]pyridinyl)methylamino]benzoate IUPAC Name: 3-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methylamino]benzoate Traditional Name: 3-[(5,7-diketopyrrolo[3,4-b]pyridin-6-yl)methylamino]benzoate Formula: C15H10N3O4- MolecularWeight: 296.2576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCN2C(=O)C3=C(C2=O)N=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NCN2C(=O)C3=C(C2=O)N=CC=C3)C(=O)[O-]

InChI

InChI=1S/C15H11N3O4/c19-13-11-5-2-6-16-12(11)14(20)18(13)8-17-10-4-1-3-9(7-10)15(21)22/h1-7,17H,8H2,(H,21,22)/p-1