[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7/c1-14(20(26)22-16-6-5-7-17(13-16)24(28)29)32-21(27)15-8-9-18(19(12-15)25(30)31)23-10-3-2-4-11-23/h5-9,12-14H,2-4,10-11H2,1H3,(H,22,26)/t14-/m1/s1