[7,8-dimethoxy-4,10-bis(oxidanylidene)-5H-[1,2,3]triazolo[4,5-c][1]benzazepin-2-yl]methyl pyridine-4-carboxylate

Systemtic Name: [7,8-dimethoxy-4,10-bis(oxidanylidene)-5H-[1,2,3]triazolo[4,5-c][1]benzazepin-2-yl]methyl pyridine-4-carboxylate Openeye Name: (7,8-dimethoxy-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (7,8-dimethoxy-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-2-yl)methyl ester IUPAC Name: (7,8-dimethoxy-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-2-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (4,10-diketo-7,8-dimethoxy-5H-triazolo[4,5-c][1]benzazepin-2-yl)methyl ester Formula: C19H15N5O6 MolecularWeight: 409.3523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C3=NN(N=C3C(=O)N2)COC(=O)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C3=NN(N=C3C(=O)N2)COC(=O)C4=CC=NC=C4)OC

InChI

InChI=1S/C19H15N5O6/c1-28-13-7-11-12(8-14(13)29-2)21-18(26)16-15(17(11)25)22-24(23-16)9-30-19(27)10-3-5-20-6-4-10/h3-8H,9H2,1-2H3,(H,21,26)