methyl 4-[[5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]furan-2-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]furan-2-yl]methoxy]benzoate Openeye Name: methyl 4-[[5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]-2-furyl]methoxy]benzoate CAS Name: 4-[[5-[(4-methyl-3,5-dinitroanilino)-oxomethyl]-2-furanyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-methyl-3,5-dinitrophenyl)carbamoyl]furan-2-yl]methoxy]benzoate Traditional Name: 4-[[5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]-2-furyl]methoxy]benzoic acid methyl ester Formula: C21H17N3O9 MolecularWeight: 455.37438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O9/c1-12-17(23(27)28)9-14(10-18(12)24(29)30)22-20(25)19-8-7-16(33-19)11-32-15-5-3-13(4-6-15)21(26)31-2/h3-10H,11H2,1-2H3,(H,22,25)