ethyl 1-(3-iodanylphenyl)-6-methoxy-7-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-(3-iodanylphenyl)-6-methoxy-7-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-hydroxy-1-(3-iodophenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-hydroxy-1-(3-iodophenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-1-(3-iodophenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-hydroxy-1-(3-iodophenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C23H20IN3O4 MolecularWeight: 529.32707

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)I)O)OC)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)I)O)OC)CN4C=NC=N4

InChI

InChI=1S/C23H20IN3O4/c1-3-31-23(29)22-16(11-27-13-25-12-26-27)7-15-9-20(30-2)19(28)10-18(15)21(22)14-5-4-6-17(24)8-14/h4-10,12-13,28H,3,11H2,1-2H3