methanol; 2-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzenecarbonitrile

Systemtic Name: methanol; 2-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzenecarbonitrile Openeye Name: 4-(1-ethylpropylamino)-2-methyl-3,5-dinitro-benzonitrile; methanol CAS Name: methanol; 2-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzonitrile IUPAC Name: methanol; 2-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzonitrile Traditional Name: 4-(1-ethylpropylamino)-2-methyl-3,5-dinitro-benzonitrile; methanol 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-])C)C#N)[N+](=O)[O-].CO

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4.CH4O/c1-4-10(5-2)15-12-11(16(18)19)6-9(7-14)8(3)13(12)17(20)21;1-2/h6,10,15H,4-5H2,1-3H3;2H,1H3