[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C21H15ClN2O7 MolecularWeight: 442.806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H15ClN2O7/c22-17-8-7-13(10-18(17)24(28)29)20(26)15-5-1-2-6-16(15)21(27)31-12-19(25)23-11-14-4-3-9-30-14/h1-10H,11-12H2,(H,23,25)