[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(4-isopropoxycarbonylanilino)-2-keto-ethyl] ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O8/c1-12(2)30-19(24)13-4-6-14(7-5-13)21-18(23)11-29-20(25)16-10-15(22(26)27)8-9-17(16)28-3/h4-10,12H,11H2,1-3H3,(H,21,23)