ethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitro-benzoate Openeye Name: ethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-3-nitro-benzoic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-3-28-20(24)15-4-9-18(19(14-15)23(25)26)22-12-10-21(11-13-22)16-5-7-17(27-2)8-6-16/h4-9,14H,3,10-13H2,1-2H3