methyl 2-[2-bromanyl-6-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-bromanyl-6-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-bromo-6-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetate CAS Name: 2-[2-bromo-6-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-bromo-6-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-6-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetic acid methyl ester Formula: C13H15BrN4O4 MolecularWeight: 371.1866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC(=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC(=O)OC

InChI

InChI=1S/C13H15BrN4O4/c1-20-11-4-9(5-17-18-7-15-16-8-18)3-10(14)13(11)22-6-12(19)21-2/h3-4,7-8,17H,5-6H2,1-2H3