ethyl (E)-3-(3H-benzimidazol-5-ylamino)but-2-enoate

Systemtic Name: ethyl (E)-3-(3H-benzimidazol-5-ylamino)but-2-enoate Openeye Name: ethyl (E)-3-(3H-benzimidazol-5-ylamino)but-2-enoate CAS Name: (E)-3-(3H-benzimidazol-5-ylamino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(3H-benzimidazol-5-ylamino)but-2-enoate Traditional Name: (E)-3-(3H-benzimidazol-5-ylamino)but-2-enoic acid ethyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=CC2=C(C=C1)N=CN2

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC1=CC2=C(C=C1)N=CN2

InChI

InChI=1S/C13H15N3O2/c1-3-18-13(17)6-9(2)16-10-4-5-11-12(7-10)15-8-14-11/h4-8,16H,3H2,1-2H3,(H,14,15)/b9-6+