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

Systemtic Name: [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methyl ethanoate Openeye Name: [3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-phenyl]methyl acetate CAS Name: acetic acid [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methyl ester IUPAC Name: [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methyl acetate Traditional Name: acetic acid [3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-benzyl] ester Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c1-5-11(6-2)16-14-13(17(20)21)7-9(3)12(8-24-10(4)19)15(14)18(22)23/h7,11,16H,5-6,8H2,1-4H3