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

Systemtic Name: methanol; 2-methyl-5-nitro-4-(pentan-3-ylamino)benzenecarbonitrile Openeye Name: 4-(1-ethylpropylamino)-2-methyl-5-nitro-benzonitrile; methanol CAS Name: methanol; 2-methyl-5-nitro-4-(pentan-3-ylamino)benzonitrile IUPAC Name: methanol; 2-methyl-5-nitro-4-(pentan-3-ylamino)benzonitrile Traditional Name: 4-(1-ethylpropylamino)-2-methyl-5-nitro-benzonitrile; methanol Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2.CH4O/c1-4-11(5-2)15-12-6-9(3)10(8-14)7-13(12)16(17)18;1-2/h6-7,11,15H,4-5H2,1-3H3;2H,1H3