(4-aminocarbonyl-2-nitro-phenyl)methyl 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H21ClN2O7 MolecularWeight: 436.84294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21ClN2O7/c1-11(2)9-29-18-15(21)6-14(8-17(18)28-3)20(25)30-10-13-5-4-12(19(22)24)7-16(13)23(26)27/h4-8,11H,9-10H2,1-3H3,(H2,22,24)