methyl 3-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-2-methyl-benzoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-2-methyl-benzoate Openeye Name: methyl 3-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]-1-pyrrolyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-2-methyl-benzoic acid methyl ester Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=NN3C=NN=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)/C=N/N3C=NN=C3

InChI

InChI=1S/C18H19N5O2/c1-12-8-15(9-21-22-10-19-20-11-22)14(3)23(12)17-7-5-6-16(13(17)2)18(24)25-4/h5-11H,1-4H3/b21-9+