[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[methyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[methyl-[(5-methyl-2-furyl)methyl]amino]ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H23N3O6/c1-14-5-7-16(29-14)12-21(2)19(24)13-28-20(25)17-11-15(23(26)27)6-8-18(17)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12-13H2,1-2H3