[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H20N2O6/c1-12-8-16-15(11-28-19(16)9-13(12)2)10-20(24)29-14(3)21(25)22-17-6-4-5-7-18(17)23(26)27/h4-9,11,14H,10H2,1-3H3,(H,22,25)