[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5/c1-15-7-6-10-18(24(27)28)19(15)21(26)29-16(2)20(25)23-13-11-22(12-14-23)17-8-4-3-5-9-17/h3-10,16H,11-14H2,1-2H3