2-[[(E)-2-cyano-3-[5-(2-methyl-4-nitro-phenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[5-(2-methyl-4-nitro-phenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[5-(2-methyl-4-nitro-phenyl)-2-furyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[5-(2-methyl-4-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[5-(2-methyl-4-nitro-phenyl)-2-furyl]acryloyl]amino]benzoic acid Formula: C22H15N3O6 MolecularWeight: 417.371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H15N3O6/c1-13-10-15(25(29)30)6-8-17(13)20-9-7-16(31-20)11-14(12-23)21(26)24-19-5-3-2-4-18(19)22(27)28/h2-11H,1H3,(H,24,26)(H,27,28)/b14-11+