9-chloranyl-8-methoxy-10-nitro-3,4-bis(oxidanyl)phenanthrene-1-carboxylic acid

Systemtic Name: 9-chloranyl-8-methoxy-10-nitro-3,4-bis(oxidanyl)phenanthrene-1-carboxylic acid Openeye Name: 9-chloro-3,4-dihydroxy-8-methoxy-10-nitro-phenanthrene-1-carboxylic acid CAS Name: 9-chloro-3,4-dihydroxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid IUPAC Name: 9-chloro-3,4-dihydroxy-8-methoxy-10-nitrophenanthrene-1-carboxylic acid Traditional Name: 9-chloro-3,4-dihydroxy-8-methoxy-10-nitro-phenanthrene-1-carboxylic acid Formula: C16H10ClNO7 MolecularWeight: 363.7061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C3C(=C(C(=C21)Cl)[N+](=O)[O-])C(=CC(=C3O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C3C(=C(C(=C21)Cl)[N+](=O)[O-])C(=CC(=C3O)O)C(=O)O

InChI

InChI=1S/C16H10ClNO7/c1-25-9-4-2-3-6-10(9)13(17)14(18(23)24)11-7(16(21)22)5-8(19)15(20)12(6)11/h2-5,19-20H,1H3,(H,21,22)