methyl 3-[furan-2-ylmethyl-(4-methylphenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[furan-2-ylmethyl-(4-methylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-furylmethyl(p-tolyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[N-(2-furanylmethyl)-4-methylanilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[furan-2-ylmethyl-(4-methylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-furfuryl(p-tolyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H18N2O6/c1-14-5-7-17(8-6-14)22(13-19-4-3-9-29-19)20(24)15-10-16(21(25)28-2)12-18(11-15)23(26)27/h3-12H,13H2,1-2H3