[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzoxazin-2-yl)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CC1C(=O)NC2=CC=CC=C2O1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CC1C(=O)NC2=CC=CC=C2O1)/N

InChI

InChI=1S/C16H15N3O5/c1-9(18)10(7-17)12(20)8-23-15(21)6-14-16(22)19-11-4-2-3-5-13(11)24-14/h2-5,14H,6,8,18H2,1H3,(H,19,22)/b10-9+