methyl 3-nitro-4-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[4-(1-piperidyl)anilino]ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[4-(1-piperidinyl)anilino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(4-piperidinoanilino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-29-21(26)15-5-10-19(18(13-15)24(27)28)30-14-20(25)22-16-6-8-17(9-7-16)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,25)