ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-3-30-21(26)16-12-15(13-18(14-16)24(27)28)20(25)23-10-8-22(9-11-23)17-4-6-19(29-2)7-5-17/h4-7,12-14H,3,8-11H2,1-2H3