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

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropoxy)benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O6/c1-12(2)11-28-16-6-4-5-14(9-16)20(25)29-13(3)19(24)22-18-8-7-15(23(26)27)10-17(18)21/h4-10,12-13H,11H2,1-3H3,(H,22,24)