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

Systemtic Name: N-[(E)-(2-morpholin-4-ium-4-yl-1-nitro-ethylidene)amino]-4-nitro-aniline Openeye Name: N-[(E)-(2-morpholin-4-ium-4-yl-1-nitro-ethylidene)amino]-4-nitro-aniline CAS Name: N-[(E)-[2-(4-morpholin-4-iumyl)-1-nitroethylidene]amino]-4-nitroaniline IUPAC Name: N-[(E)-(2-morpholin-4-ium-4-yl-1-nitroethylidene)amino]-4-nitroaniline Traditional Name: [(E)-(2-morpholin-4-ium-4-yl-1-nitro-ethylidene)amino]-(4-nitrophenyl)amine Formula: C12H16N5O5+ MolecularWeight: 310.28594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O5/c18-16(19)11-3-1-10(2-4-11)13-14-12(17(20)21)9-15-5-7-22-8-6-15/h1-4,13H,5-9H2/p+1/b14-12+