ethyl ethanoate; 2-nitro-N-phenyl-ethanamide; tetranitromethane

Systemtic Name: ethyl ethanoate; 2-nitro-N-phenyl-ethanamide; tetranitromethane Openeye Name: ethyl acetate; 2-nitro-N-phenyl-acetamide; tetranitromethane CAS Name: acetic acid ethyl ester; 2-nitro-N-phenylacetamide; tetranitromethane IUPAC Name: ethyl acetate; 2-nitro-N-phenylacetamide; tetranitromethane Traditional Name: acetic acid ethyl ester; 2-nitro-N-phenyl-acetamide; tetranitromethane Formula: C13H16N6O13 MolecularWeight: 464.29854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C.C1=CC=C(C=C1)NC(=O)C[N+](=O)[O-].C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C.C1=CC=C(C=C1)NC(=O)C[N+](=O)[O-].C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O3.C4H8O2.CN4O8/c11-8(6-10(12)13)9-7-4-2-1-3-5-7;1-3-6-4(2)5;6-2(7)1(3(8)9,4(10)11)5(12)13/h1-5H,6H2,(H,9,11);3H2,1-2H3;