[(2R)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [(2R)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(1R)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [(1R)-2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-15(20(25)22(2)17-8-4-3-5-9-17)29-21(26)16-10-11-18(19(14-16)24(27)28)23-12-6-7-13-23/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3/t15-/m1/s1