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

Systemtic Name: methyl 2-[4-(3-methylphenyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(m-tolyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(3-methylphenyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-methylphenyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(m-tolyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-14-4-3-5-15(12-14)20-8-10-21(11-9-20)18-7-6-16(22(24)25)13-17(18)19(23)26-2/h3-7,12-13H,8-11H2,1-2H3