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

Systemtic Name: 4-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-2-furyl]acryloyl]amino]benzoate Formula: C21H12N3O6- MolecularWeight: 402.33648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H13N3O6/c22-12-15(20(25)23-16-6-4-13(5-7-16)21(26)27)11-18-8-9-19(30-18)14-2-1-3-17(10-14)24(28)29/h1-11H,(H,23,25)(H,26,27)/p-1/b15-11+