methyl 3-nitro-4-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-nitro-4-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-benzoate Openeye Name: methyl 4-[(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxybenzoate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-15(30-19-9-8-16(21(26)29-2)14-18(19)24(27)28)20(25)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1