5-(3-nitrophenyl)-2-sulfanylidene-5,7,8,9-tetrahydro-1H-chromeno[2,3-d]pyrimidine-4,6-dione

Systemtic Name: 5-(3-nitrophenyl)-2-sulfanylidene-5,7,8,9-tetrahydro-1H-chromeno[2,3-d]pyrimidine-4,6-dione Openeye Name: 5-(3-nitrophenyl)-2-thioxo-5,7,8,9-tetrahydro-1H-chromeno[2,3-d]pyrimidine-4,6-dione CAS Name: 5-(3-nitrophenyl)-2-sulfanylidene-5,7,8,9-tetrahydro-1H-[1]benzopyrano[2,3-d]pyrimidine-4,6-dione IUPAC Name: 5-(3-nitrophenyl)-2-sulfanylidene-5,7,8,9-tetrahydro-1H-chromeno[2,3-d]pyrimidine-4,6-dione Traditional Name: 5-(3-nitrophenyl)-2-thioxo-5,7,8,9-tetrahydro-1H-chromeno[2,3-d]pyrimidine-4,6-quinone Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(O2)NC(=S)NC3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(O2)NC(=S)NC3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C17H13N3O5S/c21-10-5-2-6-11-13(10)12(8-3-1-4-9(7-8)20(23)24)14-15(22)18-17(26)19-16(14)25-11/h1,3-4,7,12H,2,5-6H2,(H2,18,19,22,26)