3,8-dinitro-6-(4-nitrophenyl)benzo[b][1,4]benzothiazepine

Systemtic Name: 3,8-dinitro-6-(4-nitrophenyl)benzo[b][1,4]benzothiazepine Openeye Name: 3,8-dinitro-6-(4-nitrophenyl)benzo[b][1,4]benzothiazepine CAS Name: 3,8-dinitro-6-(4-nitrophenyl)benzo[b][1,4]benzothiazepine IUPAC Name: 3,8-dinitro-6-(4-nitrophenyl)benzo[b][1,4]benzothiazepine Traditional Name: 3,8-dinitro-6-(4-nitrophenyl)benzo[b][1,4]benzothiazepine Formula: C19H10N4O6S MolecularWeight: 422.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)[N+](=O)[O-])SC4=C2C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)[N+](=O)[O-])SC4=C2C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H10N4O6S/c24-21(25)12-3-1-11(2-4-12)19-15-9-13(22(26)27)5-7-17(15)30-18-8-6-14(23(28)29)10-16(18)20-19/h1-10H