(2R)-2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]propanoate

Systemtic Name: (2R)-2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]propanoate Openeye Name: (2R)-2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]propanoate CAS Name: (2R)-2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: (2R)-2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]propanoate Traditional Name: (2R)-2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)acryloyl]amino]propionate Formula: C21H20N3O8- MolecularWeight: 442.3988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(=CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8/c1-12(21(27)28)22-20(26)15(23-19(25)13-7-5-4-6-8-13)9-14-10-17(31-2)18(32-3)11-16(14)24(29)30/h4-12H,1-3H3,(H,22,26)(H,23,25)(H,27,28)/p-1/b15-9+/t12-/m1/s1