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

Systemtic Name: ethyl 3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(m-tolylmethyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(3-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(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

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