4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-isopentyl-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-(3-methylbutyl)-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-(3-methylbutyl)-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 4-isoamyl-3-keto-1,4-benzoxazine-6-carbaldehyde Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)COC2=C1C=C(C=C2)C=O

Isomeric SMILES

CC(C)CCN1C(=O)COC2=C1C=C(C=C2)C=O

InChI

InChI=1S/C14H17NO3/c1-10(2)5-6-15-12-7-11(8-16)3-4-13(12)18-9-14(15)17/h3-4,7-8,10H,5-6,9H2,1-2H3