[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H17ClN2O5/c1-14(2,3)7-13(19)22-8-12(18)16-11-5-4-9(17(20)21)6-10(11)15/h4-6H,7-8H2,1-3H3,(H,16,18)