3-azanyl-4-[(2,4-dimethylphenyl)amino]isochromen-1-one

Systemtic Name: 3-azanyl-4-[(2,4-dimethylphenyl)amino]isochromen-1-one Openeye Name: 3-amino-4-(2,4-dimethylanilino)isochromen-1-one CAS Name: 3-amino-4-(2,4-dimethylanilino)-2-benzopyran-1-one IUPAC Name: 3-amino-4-(2,4-dimethylanilino)isochromen-1-one Traditional Name: 3-amino-4-(2,4-dimethylanilino)isocoumarin Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(OC(=O)C3=CC=CC=C32)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(OC(=O)C3=CC=CC=C32)N)C

InChI

InChI=1S/C17H16N2O2/c1-10-7-8-14(11(2)9-10)19-15-12-5-3-4-6-13(12)17(20)21-16(15)18/h3-9,19H,18H2,1-2H3