1,3-bis(oxidanylidene)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxylate

Systemtic Name: 1,3-bis(oxidanylidene)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxylate Openeye Name: 1,3-dioxo-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-isoindolecarboxylate IUPAC Name: 1,3-dioxo-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindoline-5-carboxylate Formula: C18H11N4O4- MolecularWeight: 347.30434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C18H12N4O4/c23-16-14-6-3-12(18(25)26)7-15(14)17(24)22(16)13-4-1-11(2-5-13)8-21-10-19-9-20-21/h1-7,9-10H,8H2,(H,25,26)/p-1