[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O6/c1-13(19(25)22-16-4-2-3-15(21)12-16)30-20(26)14-5-6-17(18(11-14)24(27)28)23-7-9-29-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,25)