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

Systemtic Name: 2-[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]ethanamide Openeye Name: 2-[3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-phenyl]acetamide CAS Name: 2-[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]acetamide IUPAC Name: 2-[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]acetamide Traditional Name: 2-[3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-phenyl]acetamide Formula: C14H20N4O5 MolecularWeight: 324.3324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5/c1-4-9(5-2)16-13-11(17(20)21)6-8(3)10(7-12(15)19)14(13)18(22)23/h6,9,16H,4-5,7H2,1-3H3,(H2,15,19)