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

Systemtic Name: methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-14-5-4-6-19(15(14)2)22-7-9-23(10-8-22)20(25)16-11-17(21(26)29-3)13-18(12-16)24(27)28/h4-6,11-13H,7-10H2,1-3H3