4-[[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[5-(4-methyl-2-nitro-phenyl)furan-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[5-(4-methyl-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-(4-methyl-2-nitrophenyl)furan-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[5-(4-methyl-2-nitro-phenyl)-2-furoyl]amino]methyl]benzoic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6/c1-12-2-7-15(16(10-12)22(26)27)17-8-9-18(28-17)19(23)21-11-13-3-5-14(6-4-13)20(24)25/h2-10H,11H2,1H3,(H,21,23)(H,24,25)