2-[[3,5-bis(azanyl)-2,4,6-trinitro-phenyl]amino]ethanol

Systemtic Name: 2-[[3,5-bis(azanyl)-2,4,6-trinitro-phenyl]amino]ethanol Openeye Name: 2-(3,5-diamino-2,4,6-trinitro-anilino)ethanol CAS Name: 2-(3,5-diamino-2,4,6-trinitroanilino)ethanol IUPAC Name: 2-(3,5-diamino-2,4,6-trinitroanilino)ethanol Traditional Name: 2-(3,5-diamino-2,4,6-trinitro-anilino)ethanol Formula: C8H10N6O7 MolecularWeight: 302.201

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C(CO)NC1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C8H10N6O7/c9-3-6(12(16)17)4(10)8(14(20)21)5(11-1-2-15)7(3)13(18)19/h11,15H,1-2,9-10H2