[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethoxy)benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 4-(2-oxolanylmethoxy)benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethoxy)benzoate Traditional Name: 4-(tetrahydrofurfuryloxy)benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)OCC3CCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)OCC3CCCO3

InChI

InChI=1S/C21H22N2O7/c1-14(20(24)22-18-6-2-3-7-19(18)23(26)27)30-21(25)15-8-10-16(11-9-15)29-13-17-5-4-12-28-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,22,24)