5-(2,4,6-trinitrophenoxy)-2,3,5a,9a-tetrahydro-1H-3-benzazepine

Systemtic Name: 5-(2,4,6-trinitrophenoxy)-2,3,5a,9a-tetrahydro-1H-3-benzazepine Openeye Name: 5-(2,4,6-trinitrophenoxy)-2,3,5a,9a-tetrahydro-1H-3-benzazepine CAS Name: 5-(2,4,6-trinitrophenoxy)-2,3,5a,9a-tetrahydro-1H-3-benzazepine IUPAC Name: 5-(2,4,6-trinitrophenoxy)-2,3,5a,9a-tetrahydro-1H-3-benzazepine Traditional Name: 5-(2,4,6-trinitrophenoxy)-2,3,5a,9a-tetrahydro-1H-3-benzazepine Formula: C16H14N4O7 MolecularWeight: 374.30496

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC=C(C2C1C=CC=C2)OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CNC=C(C2C1C=CC=C2)OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O7/c21-18(22)11-7-13(19(23)24)16(14(8-11)20(25)26)27-15-9-17-6-5-10-3-1-2-4-12(10)15/h1-4,7-10,12,17H,5-6H2