1-[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-yl-phenyl]ethanone

Systemtic Name: 1-[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-yl-phenyl]ethanone Openeye Name: 1-[3-(1-ethylpropylamino)-6-isopropyl-2,4-dinitro-phenyl]ethanone CAS Name: 1-[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-ylphenyl]ethanone IUPAC Name: 1-[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-ylphenyl]ethanone Traditional Name: 1-[3-(1-ethylpropylamino)-6-isopropyl-2,4-dinitro-phenyl]ethanone Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-6-11(7-2)17-15-13(18(21)22)8-12(9(3)4)14(10(5)20)16(15)19(23)24/h8-9,11,17H,6-7H2,1-5H3