2-[(2-azanyl-3-nitro-phenyl)carbonyl-propyl-amino]-2-methyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-3-nitro-phenyl)carbonyl-propyl-amino]-2-methyl-butanoic acid Openeye Name: 2-[(2-amino-3-nitro-benzoyl)-propyl-amino]-2-methyl-butanoic acid CAS Name: 2-[[(2-amino-3-nitrophenyl)-oxomethyl]-propylamino]-2-methylbutanoic acid IUPAC Name: 2-[(2-amino-3-nitrobenzoyl)-propylamino]-2-methylbutanoic acid Traditional Name: 2-[(2-amino-3-nitro-benzoyl)-propyl-amino]-2-methyl-butyric acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N)C(C)(CC)C(=O)O

Isomeric SMILES

CCCN(C(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N)C(C)(CC)C(=O)O

InChI

InChI=1S/C15H21N3O5/c1-4-9-17(15(3,5-2)14(20)21)13(19)10-7-6-8-11(12(10)16)18(22)23/h6-8H,4-5,9,16H2,1-3H3,(H,20,21)