3-[(4-azanyl-3,5-dimethyl-2-nitro-phenyl)amino]propane-1,2-diol

Systemtic Name: 3-[(4-azanyl-3,5-dimethyl-2-nitro-phenyl)amino]propane-1,2-diol Openeye Name: 3-(4-amino-3,5-dimethyl-2-nitro-anilino)propane-1,2-diol CAS Name: 3-(4-amino-3,5-dimethyl-2-nitroanilino)propane-1,2-diol IUPAC Name: 3-(4-amino-3,5-dimethyl-2-nitroanilino)propane-1,2-diol Traditional Name: 3-(4-amino-3,5-dimethyl-2-nitro-anilino)propane-1,2-diol Formula: C11H17N3O4 MolecularWeight: 255.27038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)C)[N+](=O)[O-])NCC(CO)O

Isomeric SMILES

CC1=CC(=C(C(=C1N)C)[N+](=O)[O-])NCC(CO)O

InChI

InChI=1S/C11H17N3O4/c1-6-3-9(13-4-8(16)5-15)11(14(17)18)7(2)10(6)12/h3,8,13,15-16H,4-5,12H2,1-2H3