7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate

Systemtic Name: 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate Openeye Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; nitric acid [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] ester IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate Traditional Name: (7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)-methyl-amine; nitric acid [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] ester Formula: C21H22ClN7O13 MolecularWeight: 615.89148

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O.C5H8N4O12/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h2-9,21H,10H2,1H3;1-4H2