2-(5-methylheptan-3-ylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(5-methylheptan-3-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-[(1-ethyl-3-methyl-pentyl)amino]-5-nitro-benzonitrile CAS Name: 2-(5-methylheptan-3-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(5-methylheptan-3-ylamino)-5-nitrobenzonitrile Traditional Name: 2-[(1-ethyl-3-methyl-pentyl)amino]-5-nitro-benzonitrile Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-4-11(3)8-13(5-2)17-15-7-6-14(18(19)20)9-12(15)10-16/h6-7,9,11,13,17H,4-5,8H2,1-3H3