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

Systemtic Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-4-30-22(27)18-12-17(13-19(14-18)25(28)29)21(26)24-10-8-23(9-11-24)20-7-5-6-15(2)16(20)3/h5-7,12-14H,4,8-11H2,1-3H3