2-azaniumyl-5-[bis(azanyl)methylideneazaniumyl]pentanoate; 2,4,6-trinitrophenolate

Systemtic Name: 2-azaniumyl-5-[bis(azanyl)methylideneazaniumyl]pentanoate; 2,4,6-trinitrophenolate Openeye Name: 2-azaniumyl-5-(diaminomethyleneammonio)pentanoate; 2,4,6-trinitrophenolate CAS Name: 2-ammonio-5-(diaminomethylideneammonio)pentanoate; 2,4,6-trinitrophenolate IUPAC Name: 2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoate; 2,4,6-trinitrophenolate Traditional Name: 2-ammonio-5-(diaminomethyleneammonio)valerate picrate Formula: C12H17N7O9 MolecularWeight: 403.30488

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C(CC(C(=O)[O-])[NH3+])C[NH+]=C(N)N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C(CC(C(=O)[O-])[NH3+])C[NH+]=C(N)N

InChI

InChI=1S/C6H14N4O2.C6H3N3O7/c7-4(5(11)12)2-1-3-10-6(8)9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2,10H