methyl 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(2,6-dimethylphenyl)-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(2,6-dimethylphenyl)piperazino]-3-nitro-benzoic acid methyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-14-5-4-6-15(2)19(14)22-11-9-21(10-12-22)17-8-7-16(20(24)27-3)13-18(17)23(25)26/h4-8,13H,9-12H2,1-3H3