1-[4-(2-methylpentyl)phenoxy]-3-nitro-benzene

Systemtic Name: 1-[4-(2-methylpentyl)phenoxy]-3-nitro-benzene Openeye Name: 1-[4-(2-methylpentyl)phenoxy]-3-nitro-benzene CAS Name: 1-[4-(2-methylpentyl)phenoxy]-3-nitrobenzene IUPAC Name: 1-[4-(2-methylpentyl)phenoxy]-3-nitrobenzene Traditional Name: 1-[4-(2-methylpentyl)phenoxy]-3-nitro-benzene Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC1=CC=C(C=C1)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)CC1=CC=C(C=C1)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO3/c1-3-5-14(2)12-15-8-10-17(11-9-15)22-18-7-4-6-16(13-18)19(20)21/h4,6-11,13-14H,3,5,12H2,1-2H3