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

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(4-pyrrolidinoanilino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-28-20(25)14-4-9-18(17(12-14)23(26)27)29-13-19(24)21-15-5-7-16(8-6-15)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,24)