O1-methyl O3-[2-nitro-4-(phenylmethoxycarbonylamino)phenyl] 2-methylpropanedioate

Systemtic Name: O1-methyl O3-[2-nitro-4-(phenylmethoxycarbonylamino)phenyl] 2-methylpropanedioate Openeye Name: O1-[4-(benzyloxycarbonylamino)-2-nitro-phenyl] O3-methyl 2-methylpropanedioate CAS Name: 2-methylpropanedioic acid O1-methyl ester O3-[2-nitro-4-(phenylmethoxycarbonylamino)phenyl] ester IUPAC Name: 1-O-methyl 3-O-[2-nitro-4-(phenylmethoxycarbonylamino)phenyl] 2-methylpropanedioate Traditional Name: 2-methylmalonic acid O1-[4-(benzyloxycarbonylamino)-2-nitro-phenyl] ester O3-methyl ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)C(=O)OC1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)C(=O)OC1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O8/c1-12(17(22)27-2)18(23)29-16-9-8-14(10-15(16)21(25)26)20-19(24)28-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,24)