1-(2-azanyl-2-oxidanylidene-ethyl)-4H-pyridine-3-carboxamide; 5-(aziridin-1-yl)-2,4-dinitro-benzamide

Systemtic Name: 1-(2-azanyl-2-oxidanylidene-ethyl)-4H-pyridine-3-carboxamide; 5-(aziridin-1-yl)-2,4-dinitro-benzamide Openeye Name: 1-(2-amino-2-oxo-ethyl)-4H-pyridine-3-carboxamide; 5-(aziridin-1-yl)-2,4-dinitro-benzamide CAS Name: 1-(2-amino-2-oxoethyl)-4H-pyridine-3-carboxamide; 5-(1-aziridinyl)-2,4-dinitrobenzamide IUPAC Name: 1-(2-amino-2-oxoethyl)-4H-pyridine-3-carboxamide; 5-(aziridin-1-yl)-2,4-dinitrobenzamide Traditional Name: 1-(2-amino-2-keto-ethyl)-4H-pyridine-3-carboxamide; 5-ethylenimino-2,4-dinitro-benzamide Formula: C17H19N7O7 MolecularWeight: 433.37546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-].C1C=CN(C=C1C(=O)N)CC(=O)N

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-].C1C=CN(C=C1C(=O)N)CC(=O)N

InChI

InChI=1S/C9H8N4O5.C8H11N3O2/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16;9-7(12)5-11-3-1-2-6(4-11)8(10)13/h3-4H,1-2H2,(H2,10,14);1,3-4H,2,5H2,(H2,9,12)(H2,10,13)