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

Systemtic Name: methyl 4-methyl-3-[[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[[5-[(4-methyl-2-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]benzoate Traditional Name: 4-methyl-3-[[5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furoyl]amino]benzoic acid methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7/c1-13-4-8-19(18(10-13)24(27)28)30-12-16-7-9-20(31-16)21(25)23-17-11-15(22(26)29-3)6-5-14(17)2/h4-11H,12H2,1-3H3,(H,23,25)