2-[(2-azanylcyclohexyl)-(4-nitrophenyl)amino]propanoic acid

Systemtic Name: 2-[(2-azanylcyclohexyl)-(4-nitrophenyl)amino]propanoic acid Openeye Name: 2-(N-(2-aminocyclohexyl)-4-nitro-anilino)propanoic acid CAS Name: 2-(N-(2-aminocyclohexyl)-4-nitroanilino)propanoic acid IUPAC Name: 2-(N-(2-aminocyclohexyl)-4-nitroanilino)propanoic acid Traditional Name: 2-(N-(2-aminocyclohexyl)-4-nitro-anilino)propionic acid Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1CCCCC1N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N(C1CCCCC1N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O4/c1-10(15(19)20)17(14-5-3-2-4-13(14)16)11-6-8-12(9-7-11)18(21)22/h6-10,13-14H,2-5,16H2,1H3,(H,19,20)