2-[[4-(methylamino)-3-nitro-phenyl]amino]butane-1,4-diol

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)NC(CCO)CO)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)NC(CCO)CO)[N+](=O)[O-]

InChI

InChI=1S/C11H17N3O4/c1-12-10-3-2-8(6-11(10)14(17)18)13-9(7-16)4-5-15/h2-3,6,9,12-13,15-16H,4-5,7H2,1H3