[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[methyl-(2,3,4-trimethoxybenzyl)amino]ethyl] ester Formula: C24H29N3O8 MolecularWeight: 487.50236

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C24H29N3O8/c1-25(14-16-7-10-20(32-2)23(34-4)22(16)33-3)21(28)15-35-24(29)18-13-17(27(30)31)8-9-19(18)26-11-5-6-12-26/h7-10,13H,5-6,11-12,14-15H2,1-4H3