6-azanyl-4-nitro-6-(3-nitrophenoxy)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-azanyl-4-nitro-6-(3-nitrophenoxy)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-amino-4-nitro-6-(3-nitrophenoxy)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-amino-4-nitro-6-(3-nitrophenoxy)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-amino-4-nitro-6-(3-nitrophenoxy)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-amino-4-nitro-6-(3-nitrophenoxy)cyclohexa-2,4-diene-1-carboxylic acid Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2(C=C(C=CC2C(=O)O)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC2(C=C(C=CC2C(=O)O)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O7/c14-13(23-10-3-1-2-8(6-10)15(19)20)7-9(16(21)22)4-5-11(13)12(17)18/h1-7,11H,14H2,(H,17,18)