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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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