N-[3-(aminomethyl)phenyl]-3,5-dinitro-pyridin-2-amine

Systemtic Name: N-[3-(aminomethyl)phenyl]-3,5-dinitro-pyridin-2-amine Openeye Name: N-[3-(aminomethyl)phenyl]-3,5-dinitro-pyridin-2-amine CAS Name: N-[3-(aminomethyl)phenyl]-3,5-dinitro-2-pyridinamine IUPAC Name: N-[3-(aminomethyl)phenyl]-3,5-dinitropyridin-2-amine Traditional Name: [3-(aminomethyl)phenyl]-(3,5-dinitro-2-pyridyl)amine Formula: C12H11N5O4 MolecularWeight: 289.24684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-])CN

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-])CN

InChI

InChI=1S/C12H11N5O4/c13-6-8-2-1-3-9(4-8)15-12-11(17(20)21)5-10(7-14-12)16(18)19/h1-5,7H,6,13H2,(H,14,15)