3-[4-chloranyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-7-methoxy-chromen-2-one

Systemtic Name: 3-[4-chloranyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-7-methoxy-chromen-2-one Openeye Name: 3-[4-chloro-3-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-7-methoxy-chromen-2-one CAS Name: 3-[4-chloro-3-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-chloro-3-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-7-methoxychromen-2-one Traditional Name: 3-[4-chloro-3-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-7-methoxy-coumarin Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)C2=C(C=CC(=C2)C3=CC4=C(C=C(C=C4)OC)OC3=O)Cl

Isomeric SMILES

CC1=NN(C(=N1)C)C2=C(C=CC(=C2)C3=CC4=C(C=C(C=C4)OC)OC3=O)Cl

InChI

InChI=1S/C20H16ClN3O3/c1-11-22-12(2)24(23-11)18-9-13(5-7-17(18)21)16-8-14-4-6-15(26-3)10-19(14)27-20(16)25/h4-10H,1-3H3