3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]benzoate

Systemtic Name: 3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]benzoate Openeye Name: 3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)furan-2-carbonyl]amino]benzoate CAS Name: 3-methyl-4-[[[5-(4-methyl-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]benzoate IUPAC Name: 3-methyl-4-[[5-(4-methyl-2-nitrophenyl)furan-2-carbonyl]amino]benzoate Traditional Name: 3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)-2-furoyl]amino]benzoate Formula: C20H15N2O6- MolecularWeight: 379.3429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C=C(C=C3)C(=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C=C(C=C3)C(=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6/c1-11-3-5-14(16(9-11)22(26)27)17-7-8-18(28-17)19(23)21-15-6-4-13(20(24)25)10-12(15)2/h3-10H,1-2H3,(H,21,23)(H,24,25)/p-1