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

Systemtic Name: methyl 3-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(m-tolyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(m-tolyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-14-4-3-5-17(10-14)21-6-8-22(9-7-21)19(24)15-11-16(20(25)28-2)13-18(12-15)23(26)27/h3-5,10-13H,6-9H2,1-2H3