[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 2-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 2-(2-oxolanylmethoxy)benzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(oxolan-2-ylmethoxy)benzoate Traditional Name: 2-(tetrahydrofurfuryloxy)benzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8/c1-28-14-8-9-17(18(11-14)23(26)27)22-20(24)13-31-21(25)16-6-2-3-7-19(16)30-12-15-5-4-10-29-15/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,22,24)