5-chloranyl-3-nitro-4-(phenylmethyl)benzene-1,2-diol

Systemtic Name: 5-chloranyl-3-nitro-4-(phenylmethyl)benzene-1,2-diol Openeye Name: 4-benzyl-5-chloro-3-nitro-benzene-1,2-diol CAS Name: 5-chloro-3-nitro-4-(phenylmethyl)benzene-1,2-diol IUPAC Name: 4-benzyl-5-chloro-3-nitrobenzene-1,2-diol Traditional Name: 4-benzyl-5-chloro-3-nitro-pyrocatechol Formula: C13H10ClNO4 MolecularWeight: 279.6758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C(=C2[N+](=O)[O-])O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C(=C2[N+](=O)[O-])O)O)Cl

InChI

InChI=1S/C13H10ClNO4/c14-10-7-11(16)13(17)12(15(18)19)9(10)6-8-4-2-1-3-5-8/h1-5,7,16-17H,6H2