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

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H21N3O6/c1-14-17(3-2-4-18(14)23(26)27)20(25)29-13-19(24)21-15-5-7-16(8-6-15)22-9-11-28-12-10-22/h2-8H,9-13H2,1H3,(H,21,24)