[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O8 MolecularWeight: 452.84234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H21ClN2O8/c1-11(20(25)22-15-6-5-13(23(26)27)10-14(15)21)31-18(24)9-12-7-16(28-2)19(30-4)17(8-12)29-3/h5-8,10-11H,9H2,1-4H3,(H,22,25)