9-chloranyl-2,3-dimethyl-6-nitro-10-oxidanyl-anthracene-1,4-dione

Systemtic Name: 9-chloranyl-2,3-dimethyl-6-nitro-10-oxidanyl-anthracene-1,4-dione Openeye Name: 9-chloro-10-hydroxy-2,3-dimethyl-6-nitro-anthracene-1,4-dione CAS Name: 9-chloro-10-hydroxy-2,3-dimethyl-6-nitroanthracene-1,4-dione IUPAC Name: 9-chloro-10-hydroxy-2,3-dimethyl-6-nitroanthracene-1,4-dione Traditional Name: 9-chloro-10-hydroxy-2,3-dimethyl-6-nitro-1,4-anthraquinone Formula: C16H10ClNO5 MolecularWeight: 331.7073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C1=O)O)Cl)C

Isomeric SMILES

CC1=C(C(=O)C2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C1=O)O)Cl)C

InChI

InChI=1S/C16H10ClNO5/c1-6-7(2)15(20)12-11(14(6)19)13(17)9-4-3-8(18(22)23)5-10(9)16(12)21/h3-5,21H,1-2H3