[2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O9/c1-29-17-10-14(16(23(27)28)11-18(17)30-2)20(25)32-12-19(24)22-15(21(26)31-3)9-13-7-5-4-6-8-13/h4-8,10-11,15H,9,12H2,1-3H3,(H,22,24)