methyl 5-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)-2-nitro-benzoate

Systemtic Name: methyl 5-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)-2-nitro-benzoate Openeye Name: methyl 5-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-nitro-benzoate CAS Name: 5-[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-nitrobenzoate Traditional Name: 5-[4-(1-naphthoyl)piperazino]-2-nitro-benzoic acid methyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5/c1-31-23(28)20-15-17(9-10-21(20)26(29)30)24-11-13-25(14-12-24)22(27)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,15H,11-14H2,1H3