[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5/c1-16-6-5-9-18(20(16)24(27)28)21(26)29-15-19(25)23-12-10-22(11-13-23)14-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3