ethoxy-N-[(E)-2-(2-ethoxycarbonyl-1H-benzimidazol-4-yl)ethenyl]phosphonamidic acid

Systemtic Name: ethoxy-N-[(E)-2-(2-ethoxycarbonyl-1H-benzimidazol-4-yl)ethenyl]phosphonamidic acid Openeye Name: ethoxy-N-[(E)-2-(2-ethoxycarbonyl-1H-benzimidazol-4-yl)vinyl]phosphonamidic acid CAS Name: ethoxy-N-[(E)-2-(2-ethoxycarbonyl-1H-benzimidazol-4-yl)ethenyl]phosphonamidic acid IUPAC Name: ethoxy-N-[(E)-2-(2-ethoxycarbonyl-1H-benzimidazol-4-yl)ethenyl]phosphonamidic acid Traditional Name: N-[(E)-2-(2-carbethoxy-1H-benzimidazol-4-yl)vinyl]-ethoxy-phosphonamidic acid Formula: C14H18N3O5P MolecularWeight: 339.283581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=CC=C2N1)C=CNP(=O)(O)OCC

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=CC=C2N1)/C=C/NP(=O)(O)OCC

InChI

InChI=1S/C14H18N3O5P/c1-3-21-14(18)13-16-11-7-5-6-10(12(11)17-13)8-9-15-23(19,20)22-4-2/h5-9H,3-4H2,1-2H3,(H,16,17)(H2,15,19,20)/b9-8+