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

Systemtic Name: 2-methoxyethyl 4-[[3-(1-methylpiperidin-4-yl)phenyl]amino]-3-nitro-benzoate Openeye Name: 2-methoxyethyl 4-[3-(1-methyl-4-piperidyl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(1-methyl-4-piperidinyl)anilino]-3-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[3-(1-methylpiperidin-4-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(1-methyl-4-piperidyl)anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-24-10-8-16(9-11-24)17-4-3-5-19(14-17)23-20-7-6-18(15-21(20)25(27)28)22(26)30-13-12-29-2/h3-7,14-16,23H,8-13H2,1-2H3