[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H17ClN2O6/c1-11-3-5-15-13(9-29-20(15)12(11)2)7-19(25)28-10-18(24)22-17-6-4-14(23(26)27)8-16(17)21/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)