2-(2-hydroxyethylamino)-1-[(2-methyl-4-nitro-phenyl)amino]butan-2-ol

Systemtic Name: 2-(2-hydroxyethylamino)-1-[(2-methyl-4-nitro-phenyl)amino]butan-2-ol Openeye Name: 2-(2-hydroxyethylamino)-1-(2-methyl-4-nitro-anilino)butan-2-ol CAS Name: 2-(2-hydroxyethylamino)-1-(2-methyl-4-nitroanilino)-2-butanol IUPAC Name: 2-(2-hydroxyethylamino)-1-(2-methyl-4-nitroanilino)butan-2-ol Traditional Name: 2-(2-hydroxyethylamino)-1-(2-methyl-4-nitro-anilino)butan-2-ol Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C)(NCCO)O

Isomeric SMILES

CCC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C)(NCCO)O

InChI

InChI=1S/C13H21N3O4/c1-3-13(18,15-6-7-17)9-14-12-5-4-11(16(19)20)8-10(12)2/h4-5,8,14-15,17-18H,3,6-7,9H2,1-2H3