methyl 3-[[4-(furan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(furan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(2-furylmethylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[[(2-furanylmethylamino)-oxomethyl]amino]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(furan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2-furfurylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7/c1-31-20(27)14-9-13(10-17(11-14)25(29)30)19(26)23-15-4-6-16(7-5-15)24-21(28)22-12-18-3-2-8-32-18/h2-11H,12H2,1H3,(H,23,26)(H2,22,24,28)