[3-methyl-3-nitroso-2,4-bis(oxidanylidene)pentyl] 4-chloranyl-2-(furan-3-ylmethylamino)-5-methyl-benzoate

Systemtic Name: [3-methyl-3-nitroso-2,4-bis(oxidanylidene)pentyl] 4-chloranyl-2-(furan-3-ylmethylamino)-5-methyl-benzoate Openeye Name: (3-methyl-3-nitroso-2,4-dioxo-pentyl) 4-chloro-2-(3-furylmethylamino)-5-methyl-benzoate CAS Name: 4-chloro-2-(3-furanylmethylamino)-5-methylbenzoic acid (3-methyl-3-nitroso-2,4-dioxopentyl) ester IUPAC Name: (3-methyl-3-nitroso-2,4-dioxopentyl) 4-chloro-2-(furan-3-ylmethylamino)-5-methylbenzoate Traditional Name: 4-chloro-2-(3-furfurylamino)-5-methyl-benzoic acid (2,4-diketo-3-methyl-3-nitroso-pentyl) ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)OCC(=O)C(C)(C(=O)C)N=O)NCC2=COC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)OCC(=O)C(C)(C(=O)C)N=O)NCC2=COC=C2)Cl

InChI

InChI=1S/C19H19ClN2O6/c1-11-6-14(16(7-15(11)20)21-8-13-4-5-27-9-13)18(25)28-10-17(24)19(3,22-26)12(2)23/h4-7,9,21H,8,10H2,1-3H3