bis(azanyl)methylidene-[4-(3,5-dinitrophenyl)carbonyloxybutyl]azanium

Systemtic Name: bis(azanyl)methylidene-[4-(3,5-dinitrophenyl)carbonyloxybutyl]azanium Openeye Name: diaminomethylene-[4-(3,5-dinitrobenzoyl)oxybutyl]ammonium CAS Name: diaminomethylidene-[4-[(3,5-dinitrophenyl)-oxomethoxy]butyl]ammonium IUPAC Name: diaminomethylidene-[4-(3,5-dinitrobenzoyl)oxybutyl]azanium Traditional Name: diaminomethylene-[4-(3,5-dinitrobenzoyl)oxybutyl]ammonium Formula: C12H16N5O6+ MolecularWeight: 326.28534

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCC[NH+]=C(N)N

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCC[NH+]=C(N)N

InChI

InChI=1S/C12H15N5O6/c13-12(14)15-3-1-2-4-23-11(18)8-5-9(16(19)20)7-10(6-8)17(21)22/h5-7H,1-4H2,(H4,13,14,15)/p+1