methyl 3-nitro-5-(4-phenylpiperazin-1-yl)carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-(4-phenylpiperazin-1-yl)carbonyl-benzoate Openeye Name: methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo-(4-phenyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate Traditional Name: 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c1-27-19(24)15-11-14(12-17(13-15)22(25)26)18(23)21-9-7-20(8-10-21)16-5-3-2-4-6-16/h2-6,11-13H,7-10H2,1H3