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

Systemtic Name: methyl 4-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-morpholinoanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[4-(4-morpholinyl)anilino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-(4-morpholinoanilino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c1-28-20(25)14-2-7-18(17(12-14)23(26)27)30-13-19(24)21-15-3-5-16(6-4-15)22-8-10-29-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,24)