2-methylpropyl 2-chloranyl-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate

Systemtic Name: 2-methylpropyl 2-chloranyl-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Openeye Name: isobutyl 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid isobutyl ester Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl

Isomeric SMILES

CC(C)COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=N/N3C=NN=C3)Cl

InChI

InChI=1S/C18H17ClN4O3/c1-12(2)9-25-18(24)15-7-13(3-5-16(15)19)17-6-4-14(26-17)8-22-23-10-20-21-11-23/h3-8,10-12H,9H2,1-2H3/b22-8+