(4-aminocarbonyl-2-nitro-phenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H15ClN2O7 MolecularWeight: 394.7632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H15ClN2O7/c1-25-14-7-11(5-12(18)15(14)26-2)17(22)27-8-10-4-3-9(16(19)21)6-13(10)20(23)24/h3-7H,8H2,1-2H3,(H2,19,21)