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

Systemtic Name: methyl 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-furylmethyl(2-thienylmethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-furanylmethyl(thiophen-2-ylmethyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-furfuryl(2-thenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CO2)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CO2)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6S/c1-26-19(23)14-8-13(9-15(10-14)21(24)25)18(22)20(11-16-4-2-6-27-16)12-17-5-3-7-28-17/h2-10H,11-12H2,1H3