N-(4-methylphenyl)-[4-[(4-methylphenyl)carbamoyl]phenoxy]phosphonamidic acid; sodium

Systemtic Name: N-(4-methylphenyl)-[4-[(4-methylphenyl)carbamoyl]phenoxy]phosphonamidic acid; sodium Openeye Name: N-(p-tolyl)-[4-(p-tolylcarbamoyl)phenoxy]phosphonamidic acid; sodium CAS Name: [4-[(4-methylanilino)-oxomethyl]phenoxy]-N-(4-methylphenyl)phosphonamidic acid; sodium IUPAC Name: N-(4-methylphenyl)-[4-[(4-methylphenyl)carbamoyl]phenoxy]phosphonamidic acid; sodium Traditional Name: N-(p-tolyl)-[4-(p-tolylcarbamoyl)phenoxy]phosphonamidic acid; sodium Formula: C21H21N2NaO4P MolecularWeight: 419.365971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OP(=O)(NC3=CC=C(C=C3)C)O.[Na]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OP(=O)(NC3=CC=C(C=C3)C)O.[Na]

InChI

InChI=1S/C21H21N2O4P.Na/c1-15-3-9-18(10-4-15)22-21(24)17-7-13-20(14-8-17)27-28(25,26)23-19-11-5-16(2)6-12-19;/h3-14H,1-2H3,(H,22,24)(H2,23,25,26);