[4-(4-ethanoylpiperazin-1-yl)phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-14-13-16(3-8-19(14)23(26)27)20(25)28-18-6-4-17(5-7-18)22-11-9-21(10-12-22)15(2)24/h3-8,13H,9-12H2,1-2H3