1-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)oxycarbonyl-3-pyrroline-2-carboxylic acid Formula: C15H16N2O8 MolecularWeight: 352.29614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)N2CC=CC2C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)N2CC=CC2C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C15H16N2O8/c1-23-12-6-9(11(17(21)22)7-13(12)24-2)8-25-15(20)16-5-3-4-10(16)14(18)19/h3-4,6-7,10H,5,8H2,1-2H3,(H,18,19)