[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C20H20N2O8/c1-12(19(23)21-11-13-3-5-14(27-2)6-4-13)30-20(24)15-9-17-18(29-8-7-28-17)10-16(15)22(25)26/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,23)/t12-/m1/s1