[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CC=CO2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CC=CO2

InChI

InChI=1S/C17H18N2O6/c1-11-8-14(15(19(22)23)9-12(11)2)18-16(20)10-25-17(21)6-5-13-4-3-7-24-13/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,20)