ethyl 3-nitro-5-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-(8-quinolylmethyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(8-quinolinylmethyl)-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(8-quinolylmethyl)piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O5/c1-2-33-24(30)20-13-19(14-21(15-20)28(31)32)23(29)27-11-9-26(10-12-27)16-18-6-3-5-17-7-4-8-25-22(17)18/h3-8,13-15H,2,9-12,16H2,1H3