3-azanyl-5-methyl-2,4,6-trinitro-phenol

Systemtic Name: 3-azanyl-5-methyl-2,4,6-trinitro-phenol Openeye Name: 3-amino-5-methyl-2,4,6-trinitro-phenol CAS Name: 3-amino-5-methyl-2,4,6-trinitrophenol IUPAC Name: 3-amino-5-methyl-2,4,6-trinitrophenol Traditional Name: 3-amino-5-methyl-2,4,6-trinitro-phenol Formula: C7H6N4O7 MolecularWeight: 258.14514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C7H6N4O7/c1-2-4(9(13)14)3(8)6(11(17)18)7(12)5(2)10(15)16/h12H,8H2,1H3