4-nitro-2-[[[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[(3R)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]methyl]phenolate CAS Name: 2-[[[[(3R)-1-[anilino(oxo)methyl]-3-piperidinyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 4-nitro-2-[[[(3R)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[(3R)-1-(phenylcarbamoyl)nipecotoyl]amino]methyl]phenolate Formula: C20H21N4O5- MolecularWeight: 397.40454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)NC2=CC=CC=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H22N4O5/c25-18-9-8-17(24(28)29)11-15(18)12-21-19(26)14-5-4-10-23(13-14)20(27)22-16-6-2-1-3-7-16/h1-3,6-9,11,14,25H,4-5,10,12-13H2,(H,21,26)(H,22,27)/p-1/t14-/m1/s1