[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 3-(2-oxolanylmethoxy)benzoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-(oxolan-2-ylmethoxy)benzoate Traditional Name: 3-(tetrahydrofurfuryloxy)benzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19ClN2O7 MolecularWeight: 434.82706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O7/c21-17-7-6-14(10-18(17)23(26)27)22-19(24)12-30-20(25)13-3-1-4-15(9-13)29-11-16-5-2-8-28-16/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2,(H,22,24)