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

Systemtic Name: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]acetic acid CAS Name: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)acryloyl]amino]acetic acid Formula: C20H19N3O8 MolecularWeight: 429.38016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C(=O)NCC(=O)O)NC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C(=O)NCC(=O)O)/NC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O8/c1-30-16-9-13(15(23(28)29)10-17(16)31-2)8-14(20(27)21-11-18(24)25)22-19(26)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,21,27)(H,22,26)(H,24,25)/b14-8+