butan-1-amine; 4-(3-methylbutyl)-2-nitro-1-phenylmethoxy-benzene

Systemtic Name: butan-1-amine; 4-(3-methylbutyl)-2-nitro-1-phenylmethoxy-benzene Openeye Name: 1-benzyloxy-4-isopentyl-2-nitro-benzene; butan-1-amine CAS Name: 1-butanamine; 4-(3-methylbutyl)-2-nitro-1-phenylmethoxybenzene IUPAC Name: butan-1-amine; 4-(3-methylbutyl)-2-nitro-1-phenylmethoxybenzene Traditional Name: 1-benzoxy-4-isoamyl-2-nitro-benzene; butylamine Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CC(C)CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN.CC(C)CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO3.C4H11N/c1-14(2)8-9-15-10-11-18(17(12-15)19(20)21)22-13-16-6-4-3-5-7-16;1-2-3-4-5/h3-7,10-12,14H,8-9,13H2,1-2H3;2-5H2,1H3