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

Systemtic Name: 4-(heptan-2-ylamino)-3-nitro-phenol Openeye Name: 4-(1-methylhexylamino)-3-nitro-phenol CAS Name: 4-(heptan-2-ylamino)-3-nitrophenol IUPAC Name: 4-(heptan-2-ylamino)-3-nitrophenol Traditional Name: 4-(1-methylhexylamino)-3-nitro-phenol Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-3-4-5-6-10(2)14-12-8-7-11(16)9-13(12)15(17)18/h7-10,14,16H,3-6H2,1-2H3