[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylphenoxy)propanoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylphenoxy)propanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 3-(4-acetylphenoxy)propanoate CAS Name: 3-(4-acetylphenoxy)propanoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate Traditional Name: 3-(4-acetylphenoxy)propionic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17ClN2O7 MolecularWeight: 420.80048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O7/c1-12(23)13-2-5-15(6-3-13)28-9-8-19(25)29-11-18(24)21-17-10-14(22(26)27)4-7-16(17)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)