(4-aminocarbonyl-2-nitro-phenyl)methyl 3-methyl-2-phenyl-pentanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-methyl-2-phenyl-pentanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-3-13(2)18(14-7-5-4-6-8-14)20(24)27-12-16-10-9-15(19(21)23)11-17(16)22(25)26/h4-11,13,18H,3,12H2,1-2H3,(H2,21,23)