4-(hexan-2-ylamino)-3-nitro-phenol

Systemtic Name: 4-(hexan-2-ylamino)-3-nitro-phenol Openeye Name: 4-(1-methylpentylamino)-3-nitro-phenol CAS Name: 4-(hexan-2-ylamino)-3-nitrophenol IUPAC Name: 4-(hexan-2-ylamino)-3-nitrophenol Traditional Name: 4-(1-methylpentylamino)-3-nitro-phenol Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)NC1=C(C=C(C=C1)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C)NC1=C(C=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-3-4-5-9(2)13-11-7-6-10(15)8-12(11)14(16)17/h6-9,13,15H,3-5H2,1-2H3