2-azanyl-4-[(5-methyl-2-nitro-phenyl)amino]butanoic acid

Systemtic Name: 2-azanyl-4-[(5-methyl-2-nitro-phenyl)amino]butanoic acid Openeye Name: 2-amino-4-(5-methyl-2-nitro-anilino)butanoic acid CAS Name: 2-amino-4-(5-methyl-2-nitroanilino)butanoic acid IUPAC Name: 2-amino-4-(5-methyl-2-nitroanilino)butanoic acid Traditional Name: 2-amino-4-(5-methyl-2-nitro-anilino)butyric acid Formula: C11H15N3O4 MolecularWeight: 253.2545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCC(C(=O)O)N

InChI

InChI=1S/C11H15N3O4/c1-7-2-3-10(14(17)18)9(6-7)13-5-4-8(12)11(15)16/h2-3,6,8,13H,4-5,12H2,1H3,(H,15,16)