2-[(4-nitrophenyl)-[nitroso(oxidanyl)amino]amino]propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)-[nitroso(oxidanyl)amino]amino]propanoic acid Openeye Name: 2-(N-[hydroxy(nitroso)amino]-4-nitro-anilino)propanoic acid CAS Name: 2-(N-[hydroxy(nitroso)amino]-4-nitroanilino)propanoic acid IUPAC Name: 2-(N-[hydroxy(nitroso)amino]-4-nitroanilino)propanoic acid Traditional Name: 2-(N-[hydroxy(nitroso)amino]-4-nitro-anilino)propionic acid Formula: C9H10N4O6 MolecularWeight: 270.1989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O6/c1-6(9(14)15)11(13(19)10-16)7-2-4-8(5-3-7)12(17)18/h2-6,19H,1H3,(H,14,15)