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

Systemtic Name: 3-nitro-4-(octan-2-ylamino)phenol Openeye Name: 4-(1-methylheptylamino)-3-nitro-phenol CAS Name: 3-nitro-4-(octan-2-ylamino)phenol IUPAC Name: 3-nitro-4-(octan-2-ylamino)phenol Traditional Name: 4-(1-methylheptylamino)-3-nitro-phenol Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3/c1-3-4-5-6-7-11(2)15-13-9-8-12(17)10-14(13)16(18)19/h8-11,15,17H,3-7H2,1-2H3