2-(2-azanyl-5-methyl-4-oxidanylidene-4a,5-dihydro-2H-3,1-benzoxazin-1-yl)-3-(4-iodophenyl)propanal

Systemtic Name: 2-(2-azanyl-5-methyl-4-oxidanylidene-4a,5-dihydro-2H-3,1-benzoxazin-1-yl)-3-(4-iodophenyl)propanal Openeye Name: 2-(2-amino-5-methyl-4-oxo-4a,5-dihydro-2H-3,1-benzoxazin-1-yl)-3-(4-iodophenyl)propanal CAS Name: 2-(2-amino-5-methyl-4-oxo-4a,5-dihydro-2H-3,1-benzoxazin-1-yl)-3-(4-iodophenyl)propanal IUPAC Name: 2-(2-amino-5-methyl-4-oxo-4a,5-dihydro-2H-3,1-benzoxazin-1-yl)-3-(4-iodophenyl)propanal Traditional Name: 2-(2-amino-4-keto-5-methyl-4a,5-dihydro-2H-3,1-benzoxazin-1-yl)-3-(4-iodophenyl)propionaldehyde Formula: C18H19IN2O3 MolecularWeight: 438.25953

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=C2C1C(=O)OC(N2C(CC3=CC=C(C=C3)I)C=O)N

Isomeric SMILES

CC1C=CC=C2C1C(=O)OC(N2C(CC3=CC=C(C=C3)I)C=O)N

InChI

InChI=1S/C18H19IN2O3/c1-11-3-2-4-15-16(11)17(23)24-18(20)21(15)14(10-22)9-12-5-7-13(19)8-6-12/h2-8,10-11,14,16,18H,9,20H2,1H3