[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O6/c1-3-26-16-7-5-4-6-14(16)20-17(22)11(2)27-18(23)12-8-9-13(19)15(10-12)21(24)25/h4-11H,3H2,1-2H3,(H,20,22)