3,4-bis[(4-nitro-2-oxidanyl-phenyl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3,4-bis[(4-nitro-2-oxidanyl-phenyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3,4-bis(2-hydroxy-4-nitro-anilino)cyclobut-3-ene-1,2-dione CAS Name: 3,4-bis(2-hydroxy-4-nitroanilino)cyclobut-3-ene-1,2-dione IUPAC Name: 3,4-bis(2-hydroxy-4-nitroanilino)cyclobut-3-ene-1,2-dione Traditional Name: 3,4-bis(2-hydroxy-4-nitro-anilino)cyclobut-3-ene-1,2-quinone Formula: C16H10N4O8 MolecularWeight: 386.2726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])O)NC2=C(C(=O)C2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])O)NC2=C(C(=O)C2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H10N4O8/c21-11-5-7(19(25)26)1-3-9(11)17-13-14(16(24)15(13)23)18-10-4-2-8(20(27)28)6-12(10)22/h1-6,17-18,21-22H