methyl 5-nitro-2-[[4-(4-oxidanylpiperidin-1-yl)phenyl]amino]benzoate

Systemtic Name: methyl 5-nitro-2-[[4-(4-oxidanylpiperidin-1-yl)phenyl]amino]benzoate Openeye Name: methyl 2-[4-(4-hydroxy-1-piperidyl)anilino]-5-nitro-benzoate CAS Name: 2-[4-(4-hydroxy-1-piperidinyl)anilino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-hydroxypiperidin-1-yl)anilino]-5-nitrobenzoate Traditional Name: 2-[4-(4-hydroxypiperidino)anilino]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)N3CCC(CC3)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)N3CCC(CC3)O

InChI

InChI=1S/C19H21N3O5/c1-27-19(24)17-12-15(22(25)26)6-7-18(17)20-13-2-4-14(5-3-13)21-10-8-16(23)9-11-21/h2-7,12,16,20,23H,8-11H2,1H3