[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)acetic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)acetic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H22N2O6/c1-13(2)18-8-7-17(9-14(18)3)27-12-20(24)28-11-19(23)21-15-5-4-6-16(10-15)22(25)26/h4-10,13H,11-12H2,1-3H3,(H,21,23)