2-chloranyl-3-methyl-5-nitro-8-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-methyl-5-nitro-8-oxidanyl-naphthalene-1,4-dione Openeye Name: 2-chloro-8-hydroxy-3-methyl-5-nitro-naphthalene-1,4-dione CAS Name: 2-chloro-8-hydroxy-3-methyl-5-nitronaphthalene-1,4-dione IUPAC Name: 2-chloro-8-hydroxy-3-methyl-5-nitronaphthalene-1,4-dione Traditional Name: 2-chloro-8-hydroxy-3-methyl-5-nitro-1,4-naphthoquinone Formula: C11H6ClNO5 MolecularWeight: 267.62204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C=CC(=C2C1=O)[N+](=O)[O-])O)Cl

Isomeric SMILES

CC1=C(C(=O)C2=C(C=CC(=C2C1=O)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C11H6ClNO5/c1-4-9(12)11(16)8-6(14)3-2-5(13(17)18)7(8)10(4)15/h2-3,14H,1H3