4-nitro-3-(3-propylheptan-2-yl)quinolin-2-amine

Systemtic Name: 4-nitro-3-(3-propylheptan-2-yl)quinolin-2-amine Openeye Name: 3-(1-methyl-2-propyl-hexyl)-4-nitro-quinolin-2-amine CAS Name: 4-nitro-3-(3-propylheptan-2-yl)-2-quinolinamine IUPAC Name: 4-nitro-3-(3-propylheptan-2-yl)quinolin-2-amine Traditional Name: [3-(1-methyl-2-propyl-hexyl)-4-nitro-2-quinolyl]amine Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C(C)C1=C(C2=CC=CC=C2N=C1N)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CCC)C(C)C1=C(C2=CC=CC=C2N=C1N)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O2/c1-4-6-10-14(9-5-2)13(3)17-18(22(23)24)15-11-7-8-12-16(15)21-19(17)20/h7-8,11-14H,4-6,9-10H2,1-3H3,(H2,20,21)