ethyl (2S)-2-[[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(Z)-2-cyano-3-(2-nitrophenyl)allyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(Z)-2-cyano-3-(2-nitrophenyl)allyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NCC(=CC2=CC=CC=C2[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC/C(=C/C2=CC=CC=C2[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H21N3O4/c1-2-28-21(25)19(13-16-8-4-3-5-9-16)23-15-17(14-22)12-18-10-6-7-11-20(18)24(26)27/h3-12,19,23H,2,13,15H2,1H3/b17-12+/t19-/m0/s1