[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C23H27N3O5/c1-3-16(2)18-8-4-5-9-20(18)24-22(27)15-31-23(28)19-14-17(26(29)30)10-11-21(19)25-12-6-7-13-25/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,24,27)/t16-/m0/s1