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

Systemtic Name: 2-[[(E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[5-(4-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[5-(4-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[5-(4-nitrophenyl)-2-furyl]acryloyl]amino]benzoic acid Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H13N3O6/c22-12-14(20(25)23-18-4-2-1-3-17(18)21(26)27)11-16-9-10-19(30-16)13-5-7-15(8-6-13)24(28)29/h1-11H,(H,23,25)(H,26,27)/b14-11+