1-[(4-methyl-2-nitro-phenyl)amino]ethylphosphonic acid

Systemtic Name: 1-[(4-methyl-2-nitro-phenyl)amino]ethylphosphonic acid Openeye Name: 1-(4-methyl-2-nitro-anilino)ethylphosphonic acid CAS Name: 1-(4-methyl-2-nitroanilino)ethylphosphonic acid IUPAC Name: 1-(4-methyl-2-nitroanilino)ethylphosphonic acid Traditional Name: 1-(4-methyl-2-nitro-anilino)ethylphosphonic acid Formula: C9H13N2O5P MolecularWeight: 260.183681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N2O5P/c1-6-3-4-8(9(5-6)11(12)13)10-7(2)17(14,15)16/h3-5,7,10H,1-2H3,(H2,14,15,16)