dimethyl 2-[[5-(2-hydroxyethyl)-4-nitro-2-phenylmethoxy-phenyl]amino]-2-oxidanyl-butanedioate

Systemtic Name: dimethyl 2-[[5-(2-hydroxyethyl)-4-nitro-2-phenylmethoxy-phenyl]amino]-2-oxidanyl-butanedioate Openeye Name: dimethyl 2-[2-benzyloxy-5-(2-hydroxyethyl)-4-nitro-anilino]-2-hydroxy-butanedioate CAS Name: 2-hydroxy-2-[5-(2-hydroxyethyl)-4-nitro-2-phenylmethoxyanilino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-hydroxy-2-[5-(2-hydroxyethyl)-4-nitro-2-phenylmethoxyanilino]butanedioate Traditional Name: 2-[2-benzoxy-5-(2-hydroxyethyl)-4-nitro-anilino]-2-hydroxy-succinic acid dimethyl ester Formula: C21H24N2O9 MolecularWeight: 448.42326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)(NC1=C(C=C(C(=C1)CCO)[N+](=O)[O-])OCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CC(C(=O)OC)(NC1=C(C=C(C(=C1)CCO)[N+](=O)[O-])OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H24N2O9/c1-30-19(25)12-21(27,20(26)31-2)22-16-10-15(8-9-24)17(23(28)29)11-18(16)32-13-14-6-4-3-5-7-14/h3-7,10-11,22,24,27H,8-9,12-13H2,1-2H3