[(1S)-1-cyanoethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [(1S)-1-cyanoethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [(1S)-1-cyanoethyl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid [(1S)-1-cyanoethyl] ester Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C#N)OC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6/c1-8(5-14)22-13(18)6-15-10-4-9(16(19)20)2-3-11(10)21-7-12(15)17/h2-4,8H,6-7H2,1H3/t8-/m0/s1