7-azanyl-4-chloranyl-3-(2-methylpropoxy)isochromen-1-one

Systemtic Name: 7-azanyl-4-chloranyl-3-(2-methylpropoxy)isochromen-1-one Openeye Name: 7-amino-4-chloro-3-isobutoxy-isochromen-1-one CAS Name: 7-amino-4-chloro-3-(2-methylpropoxy)-2-benzopyran-1-one IUPAC Name: 7-amino-4-chloro-3-(2-methylpropoxy)isochromen-1-one Traditional Name: 7-amino-4-chloro-3-isobutoxy-isocoumarin Formula: C13H14ClNO3 MolecularWeight: 267.70816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl

Isomeric SMILES

CC(C)COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl

InChI

InChI=1S/C13H14ClNO3/c1-7(2)6-17-13-11(14)9-4-3-8(15)5-10(9)12(16)18-13/h3-5,7H,6,15H2,1-2H3