4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Formula: C27H18BrN3O5S MolecularWeight: 576.41792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C(S2)C3=CC(=CC=C3)[N+](=O)[O-])OC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C(S2)C3=CC(=CC=C3)[N+](=O)[O-])OC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H18BrN3O5S/c28-19-10-8-17(9-11-19)25-26(36-22-14-12-20(13-15-22)30(32)33)27(18-4-3-5-21(16-18)31(34)35)37-24-7-2-1-6-23(24)29-25/h1-16,27,29H