[4-[2-[5-[(4-methyl-3-nitro-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[2-[5-[(4-methyl-3-nitro-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] furan-2-carboxylate Openeye Name: [4-[2-[5-(4-methyl-3-nitro-anilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[2-[5-(4-methyl-3-nitroanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(4-methyl-3-nitroanilino)-5-oxopentanoyl]oxyacetyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[2-[5-keto-5-(4-methyl-3-nitro-anilino)pentanoyl]oxyacetyl]phenyl] ester Formula: C25H22N2O9 MolecularWeight: 494.45018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O9/c1-16-7-10-18(14-20(16)27(32)33)26-23(29)5-2-6-24(30)35-15-21(28)17-8-11-19(12-9-17)36-25(31)22-4-3-13-34-22/h3-4,7-14H,2,5-6,15H2,1H3,(H,26,29)