aniline; 3-methyl-2-oxidanyl-but-2-enal

Systemtic Name: aniline; 3-methyl-2-oxidanyl-but-2-enal Openeye Name: aniline; 2-hydroxy-3-methyl-but-2-enal CAS Name: aniline; 2-hydroxy-3-methyl-2-butenal IUPAC Name: aniline; 2-hydroxy-3-methylbut-2-enal Traditional Name: 2-hydroxy-3-methyl-but-2-enal; phenylamine Formula: C11H15NO2 MolecularWeight: 193.2423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C=O)O)C.C1=CC=C(C=C1)N

Isomeric SMILES

CC(=C(C=O)O)C.C1=CC=C(C=C1)N

InChI

InChI=1S/C6H7N.C5H8O2/c7-6-4-2-1-3-5-6;1-4(2)5(7)3-6/h1-5H,7H2;3,7H,1-2H3