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

Systemtic Name: 4-[[(2R)-2-methyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R)-2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R)-2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2R)-4-allyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)O)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-3-8-18-12-9-11(17-14(19)6-7-15(20)21)4-5-13(12)23-10(2)16(18)22/h3-5,9-10H,1,6-8H2,2H3,(H,17,19)(H,20,21)/t10-/m1/s1