[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)C(=O)OCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)C(=O)OCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5/c1-18-6-11-24-22(16-18)26(21-4-2-3-5-23(21)28-24)27(33)36-17-25(32)30-14-12-29(13-15-30)19-7-9-20(10-8-19)31(34)35/h6-11,16H,2-5,12-15,17H2,1H3