4-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[5-(2-chloro-4-nitro-phenyl)furan-2-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[5-(2-chloro-4-nitrophenyl)-2-furanyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[5-(2-chloro-4-nitro-phenyl)-2-furoyl]amino]-3-methyl-benzoic acid Formula: C19H13ClN2O6 MolecularWeight: 400.76932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN2O6/c1-10-8-11(19(24)25)2-5-15(10)21-18(23)17-7-6-16(28-17)13-4-3-12(22(26)27)9-14(13)20/h2-9H,1H3,(H,21,23)(H,24,25)