[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C22H15N3O6 MolecularWeight: 417.371

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=COC(=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H15N3O6/c23-13-17(21(26)24-14-20-2-1-11-30-20)12-15-3-9-19(10-4-15)31-22(27)16-5-7-18(8-6-16)25(28)29/h1-12H,14H2,(H,24,26)/b17-12+