[4-[2-[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[2-[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] furan-2-carboxylate Openeye Name: [4-[2-[4-(3-nitroanilino)-4-oxo-butanoyl]oxyacetyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[2-[4-(3-nitroanilino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(3-nitroanilino)-4-oxobutanoyl]oxyacetyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[2-[4-keto-4-(3-nitroanilino)butanoyl]oxyacetyl]phenyl] ester Formula: C23H18N2O9 MolecularWeight: 466.39702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CO3

InChI

InChI=1S/C23H18N2O9/c26-19(15-6-8-18(9-7-15)34-23(29)20-5-2-12-32-20)14-33-22(28)11-10-21(27)24-16-3-1-4-17(13-16)25(30)31/h1-9,12-13H,10-11,14H2,(H,24,27)