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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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