[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-3-17(23)14-7-9-15(10-8-14)28-12-19(25)29-11-18(24)21-20-13(2)5-4-6-16(20)22(26)27/h4-10H,3,11-12H2,1-2H3,(H,21,24)