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

Systemtic Name: ethyl 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-nitro-5-[4-(o-tolylmethyl)piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2-methylbenzyl)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)CC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-3-30-22(27)19-12-18(13-20(14-19)25(28)29)21(26)24-10-8-23(9-11-24)15-17-7-5-4-6-16(17)2/h4-7,12-14H,3,8-11,15H2,1-2H3