methyl 3-[1-(1-benzofuran-2-yl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1-(1-benzofuran-2-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[1-(benzofuran-2-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(2-benzofuranyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(1-benzofuran-2-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(benzofuran-2-yl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H16N2O6/c1-11(17-10-12-5-3-4-6-16(12)27-17)20-18(22)13-7-14(19(23)26-2)9-15(8-13)21(24)25/h3-11H,1-2H3,(H,20,22)