2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitro-benzoic acid

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitro-benzoic acid Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitro-benzoic acid CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-nitrobenzoic acid IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoic acid Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-5-nitro-benzoic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H19N3O5/c1-26-17-5-3-2-4-16(17)20-10-8-19(9-11-20)15-7-6-13(21(24)25)12-14(15)18(22)23/h2-7,12H,8-11H2,1H3,(H,22,23)