[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-4-28-16-8-9-18-17(11-16)12(2)19(30-18)21(25)29-13(3)20(24)22-14-6-5-7-15(10-14)23(26)27/h5-11,13H,4H2,1-3H3,(H,22,24)