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

Systemtic Name: [4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-nitrobenzoate Openeye Name: [4-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C24H19N3O7 MolecularWeight: 461.42356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O7/c1-2-32-22-13-16(12-17(14-25)23(28)26-15-18-6-5-11-33-18)9-10-21(22)34-24(29)19-7-3-4-8-20(19)27(30)31/h3-13H,2,15H2,1H3,(H,26,28)