4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)pyrrolidine-3-carboxylate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)pyrrolidine-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-pyrrolidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)pyrrolidine-3-carboxylate Formula: C25H21N2O7- MolecularWeight: 461.44344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(CN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)C(=O)[O-]

InChI

InChI=1S/C25H22N2O7/c1-32-19-9-2-15(3-10-19)24-23(25(28)29)20(16-4-11-21-22(12-16)34-14-33-21)13-26(24)17-5-7-18(8-6-17)27(30)31/h2-12,20,23-24H,13-14H2,1H3,(H,28,29)/p-1