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

Systemtic Name: 4-[[(2R)-2-ethyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2R)-4-allyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2R)-2-ethyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2R)-2-ethyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2R)-4-allyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C17H19N2O5- MolecularWeight: 331.34316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-3-9-19-12-10-11(18-15(20)7-8-16(21)22)5-6-14(12)24-13(4-2)17(19)23/h3,5-6,10,13H,1,4,7-9H2,2H3,(H,18,20)(H,21,22)/p-1/t13-/m1/s1