(4-nitrophenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid (4-nitrobenzyl) ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4/c22-12-3-13-23-14-17(19-4-1-2-5-20(19)23)8-11-21(25)28-15-16-6-9-18(10-7-16)24(26)27/h1-2,4-11,14H,3,13,15H2/b11-8+