2-methoxyethyl 4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: 2-methoxyethyl 4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-3-nitro-benzoate Openeye Name: 2-methoxyethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(4-acetyl-1-piperazinyl)anilino]-3-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(4-acetylpiperazino)anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6/c1-16(27)24-8-10-25(11-9-24)19-5-3-4-18(15-19)23-20-7-6-17(14-21(20)26(29)30)22(28)32-13-12-31-2/h3-7,14-15,23H,8-13H2,1-2H3