7-azanyl-4-chloranyl-3-phenylmethoxy-isochromen-1-one

Systemtic Name: 7-azanyl-4-chloranyl-3-phenylmethoxy-isochromen-1-one Openeye Name: 7-amino-3-benzyloxy-4-chloro-isochromen-1-one CAS Name: 7-amino-4-chloro-3-phenylmethoxy-2-benzopyran-1-one IUPAC Name: 7-amino-4-chloro-3-phenylmethoxyisochromen-1-one Traditional Name: 7-amino-3-benzoxy-4-chloro-isocoumarin Formula: C16H12ClNO3 MolecularWeight: 301.72438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C3=C(C=C(C=C3)N)C(=O)O2)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C3=C(C=C(C=C3)N)C(=O)O2)Cl

InChI

InChI=1S/C16H12ClNO3/c17-14-12-7-6-11(18)8-13(12)15(19)21-16(14)20-9-10-4-2-1-3-5-10/h1-8H,9,18H2