4-bromanyl-N-[(E)-(2-morpholin-4-ium-4-yl-1-nitro-ethylidene)amino]aniline

Systemtic Name: 4-bromanyl-N-[(E)-(2-morpholin-4-ium-4-yl-1-nitro-ethylidene)amino]aniline Openeye Name: 4-bromo-N-[(E)-(2-morpholin-4-ium-4-yl-1-nitro-ethylidene)amino]aniline CAS Name: 4-bromo-N-[(E)-[2-(4-morpholin-4-iumyl)-1-nitroethylidene]amino]aniline IUPAC Name: 4-bromo-N-[(E)-(2-morpholin-4-ium-4-yl-1-nitroethylidene)amino]aniline Traditional Name: (4-bromophenyl)-[(E)-(2-morpholin-4-ium-4-yl-1-nitro-ethylidene)amino]amine Formula: C12H16BrN4O3+ MolecularWeight: 344.18444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=NNC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C/C(=N\NC2=CC=C(C=C2)Br)/[N+](=O)[O-]

InChI

InChI=1S/C12H15BrN4O3/c13-10-1-3-11(4-2-10)14-15-12(17(18)19)9-16-5-7-20-8-6-16/h1-4,14H,5-9H2/p+1/b15-12+