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

Systemtic Name: ethyl 1-(3-bromophenyl)-7-chloranyl-6-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-7-chloro-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-7-chloro-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-7-chloro-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-bromophenyl)-7-chloro-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C22H17BrClN3O3 MolecularWeight: 486.74568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)Br)Cl)O)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)Br)Cl)O)CN4C=NC=N4

InChI

InChI=1S/C22H17BrClN3O3/c1-2-30-22(29)21-15(10-27-12-25-11-26-27)6-14-8-19(28)18(24)9-17(14)20(21)13-4-3-5-16(23)7-13/h3-9,11-12,28H,2,10H2,1H3