methyl 3-nitro-2-[(4-phenylpiperazin-1-yl)methyl]benzoate

Systemtic Name: methyl 3-nitro-2-[(4-phenylpiperazin-1-yl)methyl]benzoate Openeye Name: methyl 3-nitro-2-[(4-phenylpiperazin-1-yl)methyl]benzoate CAS Name: 3-nitro-2-[(4-phenyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-2-[(4-phenylpiperazin-1-yl)methyl]benzoate Traditional Name: 3-nitro-2-[(4-phenylpiperazino)methyl]benzoic acid methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-26-19(23)16-8-5-9-18(22(24)25)17(16)14-20-10-12-21(13-11-20)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3