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

Systemtic Name: 4-(4-chlorophenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-chlorophenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-chlorophenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-chlorophenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-chlorophenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Formula: C27H18ClN3O5S MolecularWeight: 531.96692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H18ClN3O5S/c28-19-9-5-17(6-10-19)25-26(36-22-15-13-21(14-16-22)31(34)35)27(18-7-11-20(12-8-18)30(32)33)37-24-4-2-1-3-23(24)29-25/h1-16,27,29H