2-dimethylaminoethyl 4-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]benzoate Openeye Name: 2-dimethylaminoethyl 4-[[5-(2-chloro-4-nitro-phenyl)furan-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-(2-chloro-4-nitrophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-(2-chloro-4-nitro-phenyl)-2-furoyl]amino]benzoic acid 2-dimethylaminoethyl ester Formula: C22H20ClN3O6 MolecularWeight: 457.8637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O6/c1-25(2)11-12-31-22(28)14-3-5-15(6-4-14)24-21(27)20-10-9-19(32-20)17-8-7-16(26(29)30)13-18(17)23/h3-10,13H,11-12H2,1-2H3,(H,24,27)