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

Systemtic Name: methyl 3-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-(4-p-toluoylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-14-3-5-15(6-4-14)19(25)22-7-9-23(10-8-22)20(26)16-11-17(21(27)30-2)13-18(12-16)24(28)29/h3-6,11-13H,7-10H2,1-2H3