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

Systemtic Name: methyl 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(m-tolylmethyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(3-methylbenzyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H23N3O4/c1-15-4-3-5-16(12-15)14-21-8-10-22(11-9-21)19-7-6-17(23(25)26)13-18(19)20(24)27-2/h3-7,12-13H,8-11,14H2,1-2H3