[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [2-keto-1-methyl-2-(3-nitroanilino)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)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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