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

Systemtic Name: 2-methoxyethyl 4-[[3-(1-ethanoylpiperidin-4-yl)phenyl]amino]-3-nitro-benzoate Openeye Name: 2-methoxyethyl 4-[3-(1-acetyl-4-piperidyl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(1-acetyl-4-piperidinyl)anilino]-3-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[3-(1-acetylpiperidin-4-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(1-acetyl-4-piperidyl)anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O6/c1-16(27)25-10-8-17(9-11-25)18-4-3-5-20(14-18)24-21-7-6-19(15-22(21)26(29)30)23(28)32-13-12-31-2/h3-7,14-15,17,24H,8-13H2,1-2H3