5-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: 5-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]-1-pyrrolyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]isophthalate Formula: C17H13N5O4-2 MolecularWeight: 351.31622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C)C=NN3C=NN=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C)/C=N\N3C=NN=C3

InChI

InChI=1S/C17H15N5O4/c1-10-3-14(7-20-21-8-18-19-9-21)11(2)22(10)15-5-12(16(23)24)4-13(6-15)17(25)26/h3-9H,1-2H3,(H,23,24)(H,25,26)/p-2/b20-7-