[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6/c1-3-8-20-18(25)13(2)21-17(24)12-29-19(26)14-6-7-15(16(11-14)23(27)28)22-9-4-5-10-22/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,20,25)(H,21,24)/t13-/m0/s1