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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O6/c23-13-16(21(26)24-14-18-4-3-11-30-18)12-15-7-9-17(10-8-15)31-22(27)19-5-1-2-6-20(19)25(28)29/h1-12H,14H2,(H,24,26)/b16-12+