(4-aminocarbonyl-2-nitro-phenyl)methyl 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 7-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-chloro-3-methyl-2-benzofurancarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-3-methyl-coumarilic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O6/c1-9-12-3-2-4-13(19)16(12)27-15(9)18(23)26-8-11-6-5-10(17(20)22)7-14(11)21(24)25/h2-7H,8H2,1H3,(H2,20,22)