ethyl 3-nitro-5-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(4-phenyl-1-piperazinyl)ethylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[2-(4-phenylpiperazino)ethylcarbamoyl]benzoic acid ethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-2-31-22(28)18-14-17(15-20(16-18)26(29)30)21(27)23-8-9-24-10-12-25(13-11-24)19-6-4-3-5-7-19/h3-7,14-16H,2,8-13H2,1H3,(H,23,27)