ethyl 3-[(E)-but-2-enoyl]-1-(phenylmethyl)indazole-4-carboxylate

Systemtic Name: ethyl 3-[(E)-but-2-enoyl]-1-(phenylmethyl)indazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-[(E)-but-2-enoyl]indazole-4-carboxylate CAS Name: 3-[(E)-1-oxobut-2-enyl]-1-(phenylmethyl)-4-indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(E)-but-2-enoyl]indazole-4-carboxylate Traditional Name: 1-benzyl-3-[(E)-but-2-enoyl]indazole-4-carboxylic acid ethyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)N(N=C2C(=O)C=CC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)N(N=C2C(=O)/C=C/C)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-3-9-18(24)20-19-16(21(25)26-4-2)12-8-13-17(19)23(22-20)14-15-10-6-5-7-11-15/h3,5-13H,4,14H2,1-2H3/b9-3+