2,3-dimethyl-4,6-dinitro-5-(pentan-3-ylamino)phenol

Systemtic Name: 2,3-dimethyl-4,6-dinitro-5-(pentan-3-ylamino)phenol Openeye Name: 5-(1-ethylpropylamino)-2,3-dimethyl-4,6-dinitro-phenol CAS Name: 2,3-dimethyl-4,6-dinitro-5-(pentan-3-ylamino)phenol IUPAC Name: 2,3-dimethyl-4,6-dinitro-5-(pentan-3-ylamino)phenol Traditional Name: 5-(1-ethylpropylamino)-2,3-dimethyl-4,6-dinitro-phenol Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O5/c1-5-9(6-2)14-10-11(15(18)19)7(3)8(4)13(17)12(10)16(20)21/h9,14,17H,5-6H2,1-4H3