3-methyl-2,4,6-trinitro-phenolate; 3-pyrrolidin-1-ium-2-ylpyridine

Systemtic Name: 3-methyl-2,4,6-trinitro-phenolate; 3-pyrrolidin-1-ium-2-ylpyridine Openeye Name: 3-methyl-2,4,6-trinitro-phenolate; 3-pyrrolidin-1-ium-2-ylpyridine CAS Name: 3-methyl-2,4,6-trinitrophenolate; 3-(2-pyrrolidin-1-iumyl)pyridine IUPAC Name: 3-methyl-2,4,6-trinitrophenolate; 3-pyrrolidin-1-ium-2-ylpyridine Traditional Name: 3-methyl-2,4,6-trinitro-phenolate; 3-pyrrolidin-1-ium-2-ylpyridine Formula: C16H17N5O7 MolecularWeight: 391.33548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].C1CC([NH2+]C1)C2=CN=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].C1CC([NH2+]C1)C2=CN=CC=C2

InChI

InChI=1S/C9H12N2.C7H5N3O7/c1-3-8(7-10-5-1)9-4-2-6-11-9;1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h1,3,5,7,9,11H,2,4,6H2;2,11H,1H3