[3-(prop-2-enoylamino)phenyl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [3-(prop-2-enoylamino)phenyl] 3H-benzimidazole-5-carboxylate Openeye Name: [3-(prop-2-enoylamino)phenyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [3-(1-oxoprop-2-enylamino)phenyl] ester IUPAC Name: [3-(prop-2-enoylamino)phenyl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid (3-acrylamidophenyl) ester Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C=CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C17H13N3O3/c1-2-16(21)20-12-4-3-5-13(9-12)23-17(22)11-6-7-14-15(8-11)19-10-18-14/h2-10H,1H2,(H,18,19)(H,20,21)