[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-yloxyethanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-yloxyethanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2-(2-naphthyloxy)acetate CAS Name: 2-(2-naphthalenyloxy)acetic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate Traditional Name: 2-(2-naphthoxy)acetic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C22H20N2O6/c1-14-7-10-19(24(27)28)22(15(14)2)23-20(25)12-30-21(26)13-29-18-9-8-16-5-3-4-6-17(16)11-18/h3-11H,12-13H2,1-2H3,(H,23,25)