4-[(2R)-2-methyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2R)-2-methyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-4-allyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C16H16NO5- MolecularWeight: 302.30194

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC=C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC=C

InChI

InChI=1S/C16H17NO5/c1-3-8-17-12-9-11(13(18)5-7-15(19)20)4-6-14(12)22-10(2)16(17)21/h3-4,6,9-10H,1,5,7-8H2,2H3,(H,19,20)/p-1/t10-/m1/s1