[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoate CAS Name: 4-[[(2R)-2-oxolanyl]methoxy]benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Traditional Name: 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC[C@H]3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-14-4-9-18(19(11-14)23(26)27)22-20(24)13-30-21(25)15-5-7-16(8-6-15)29-12-17-3-2-10-28-17/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,22,24)/t17-/m1/s1