[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C17H13N3O6 MolecularWeight: 355.30162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-10(16-18-13-5-3-2-4-12(13)17(22)19-16)25-15(21)9-7-11-6-8-14(26-11)20(23)24/h2-10H,1H3,(H,18,19,22)/b9-7+/t10-/m0/s1