[2-[(3-azanyl-4-methyl-phenyl)carbonylamino]-5-(phosphonomethyl)phenyl]methylphosphonic acid

Systemtic Name: [2-[(3-azanyl-4-methyl-phenyl)carbonylamino]-5-(phosphonomethyl)phenyl]methylphosphonic acid Openeye Name: [2-[(3-amino-4-methyl-benzoyl)amino]-5-(phosphonomethyl)phenyl]methylphosphonic acid CAS Name: [2-[[(3-amino-4-methylphenyl)-oxomethyl]amino]-5-(phosphonomethyl)phenyl]methylphosphonic acid IUPAC Name: [2-[(3-amino-4-methylbenzoyl)amino]-5-(phosphonomethyl)phenyl]methylphosphonic acid Traditional Name: [2-[(3-amino-4-methyl-benzoyl)amino]-5-(phosphonomethyl)benzyl]phosphonic acid Formula: C16H20N2O7P2 MolecularWeight: 414.286722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)N

InChI

InChI=1S/C16H20N2O7P2/c1-10-2-4-12(7-14(10)17)16(19)18-15-5-3-11(8-26(20,21)22)6-13(15)9-27(23,24)25/h2-7H,8-9,17H2,1H3,(H,18,19)(H2,20,21,22)(H2,23,24,25)