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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1NCC(CO)O)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C(C(=C(C=C1NCC(CO)O)[N+](=O)[O-])N)C

InChI

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