methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]-5-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)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

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

InChI

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