2-[(4-aminocarbonyl-2-nitro-phenyl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-aminocarbonyl-2-nitro-phenyl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-carbamoyl-2-nitro-phenyl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-carbamoyl-2-nitrophenyl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-carbamoyl-2-nitro-benzyl)amino]-3-methyl-butyric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-7(2)11(13(18)19)15-6-9-4-3-8(12(14)17)5-10(9)16(20)21/h3-5,7,11,15H,6H2,1-2H3,(H2,14,17)(H,18,19)