[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methanol

Systemtic Name: [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methanol Openeye Name: [3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-phenyl]methanol CAS Name: [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methanol IUPAC Name: [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methanol Traditional Name: [3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-phenyl]methanol 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-])CO)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O5/c1-4-9(5-2)14-12-11(15(18)19)6-8(3)10(7-17)13(12)16(20)21/h6,9,14,17H,4-5,7H2,1-3H3