[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate CAS Name: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate Traditional Name: 2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C18H21N3O7/c1-12(17(23)19-8-4-2-3-5-9-19)27-16(22)11-20-14-7-6-13(21(25)26)10-15(14)28-18(20)24/h6-7,10,12H,2-5,8-9,11H2,1H3/t12-/m1/s1