5-(4-nitrophenyl)-5,6-dihydro-1H-pyrimido[4,5-b][1,5]benzothiazepine-2,4-dione

Systemtic Name: 5-(4-nitrophenyl)-5,6-dihydro-1H-pyrimido[4,5-b][1,5]benzothiazepine-2,4-dione Openeye Name: 5-(4-nitrophenyl)-5,6-dihydro-1H-pyrimido[4,5-b][1,5]benzothiazepine-2,4-dione CAS Name: 5-(4-nitrophenyl)-5,6-dihydro-1H-pyrimido[4,5-b][1,5]benzothiazepine-2,4-dione IUPAC Name: 5-(4-nitrophenyl)-5,6-dihydro-1H-pyrimido[4,5-b][1,5]benzothiazepine-2,4-dione Traditional Name: 5-(4-nitrophenyl)-5,6-dihydro-1H-pyrimido[4,5-b][1,5]benzothiazepine-2,4-quinone Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(C3=C(S2)NC(=O)NC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(C3=C(S2)NC(=O)NC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4S/c22-15-13-14(9-5-7-10(8-6-9)21(24)25)18-11-3-1-2-4-12(11)26-16(13)20-17(23)19-15/h1-8,14,18H,(H2,19,20,22,23)