3-methyl-2-[(4-nitrophenyl)-phenylmethoxycarbonyl-amino]pentanoic acid

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)-phenylmethoxycarbonyl-amino]pentanoic acid Openeye Name: 2-(N-benzyloxycarbonyl-4-nitro-anilino)-3-methyl-pentanoic acid CAS Name: 3-methyl-2-(4-nitro-N-phenylmethoxycarbonylanilino)pentanoic acid IUPAC Name: 3-methyl-2-(4-nitro-N-phenylmethoxycarbonylanilino)pentanoic acid Traditional Name: 2-(N-carbobenzoxy-4-nitro-anilino)-3-methyl-valeric acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-3-14(2)18(19(23)24)21(16-9-11-17(12-10-16)22(26)27)20(25)28-13-15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,23,24)