[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H23ClN2O7 MolecularWeight: 450.86952

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OCC

InChI

InChI=1S/C21H23ClN2O7/c1-4-10-30-19-15(22)11-14(12-18(19)29-5-2)21(26)31-13(3)20(25)23-16-8-6-7-9-17(16)24(27)28/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,25)