3-(trinitromethyl)aniline

Systemtic Name: 3-(trinitromethyl)aniline Openeye Name: 3-(trinitromethyl)aniline CAS Name: 3-(trinitromethyl)aniline IUPAC Name: 3-(trinitromethyl)aniline Traditional Name: [3-(trinitromethyl)phenyl]amine Formula: C7H6N4O6 MolecularWeight: 242.14574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N4O6/c8-6-3-1-2-5(4-6)7(9(12)13,10(14)15)11(16)17/h1-4H,8H2