[(3-cyanophenyl)-phenylazanyl-methyl]phosphonic acid; propan-2-ol

Systemtic Name: [(3-cyanophenyl)-phenylazanyl-methyl]phosphonic acid; propan-2-ol Openeye Name: [anilino-(3-cyanophenyl)methyl]phosphonic acid; propan-2-ol CAS Name: [anilino-(3-cyanophenyl)methyl]phosphonic acid; 2-propanol IUPAC Name: [anilino-(3-cyanophenyl)methyl]phosphonic acid; propan-2-ol Traditional Name: [anilino-(3-cyanophenyl)methyl]phosphonic acid; propan-2-ol Formula: C17H21N2O4P MolecularWeight: 348.333401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.C1=CC=C(C=C1)NC(C2=CC=CC(=C2)C#N)P(=O)(O)O

Isomeric SMILES

CC(C)O.C1=CC=C(C=C1)NC(C2=CC=CC(=C2)C#N)P(=O)(O)O

InChI

InChI=1S/C14H13N2O3P.C3H8O/c15-10-11-5-4-6-12(9-11)14(20(17,18)19)16-13-7-2-1-3-8-13;1-3(2)4/h1-9,14,16H,(H2,17,18,19);3-4H,1-2H3