(2R)-2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[(Z)-2-benzamido-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[(Z)-2-benzamido-3-(4-nitrophenyl)acryloyl]amino]-3-phenyl-propionic acid Formula: C25H21N3O6 MolecularWeight: 459.45074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21N3O6/c29-23(19-9-5-2-6-10-19)26-21(15-18-11-13-20(14-12-18)28(33)34)24(30)27-22(25(31)32)16-17-7-3-1-4-8-17/h1-15,22H,16H2,(H,26,29)(H,27,30)(H,31,32)/b21-15-/t22-/m1/s1