4-[5-[(E)-2-cyano-3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C22H15N3O6/c1-13-2-7-17(25(29)30)11-19(13)24-21(26)16(12-23)10-18-8-9-20(31-18)14-3-5-15(6-4-14)22(27)28/h2-11H,1H3,(H,24,26)(H,27,28)/b16-10+