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

Systemtic Name: 5-azanyl-2-[(5-methyl-2-nitro-phenyl)amino]pentanoic acid Openeye Name: 5-amino-2-(5-methyl-2-nitro-anilino)pentanoic acid CAS Name: 5-amino-2-(5-methyl-2-nitroanilino)pentanoic acid IUPAC Name: 5-amino-2-(5-methyl-2-nitroanilino)pentanoic acid Traditional Name: 5-amino-2-(5-methyl-2-nitro-anilino)valeric acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c1-8-4-5-11(15(18)19)10(7-8)14-9(12(16)17)3-2-6-13/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)