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

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

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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=CC(=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=CC(=C3)C(=O)O

InChI

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