3-(indol-1-ylamino)oxy-4-oxidanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(indol-1-ylamino)oxy-4-oxidanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-hydroxy-4-(indol-1-ylamino)oxy-cyclobut-3-ene-1,2-dione CAS Name: 3-hydroxy-4-(1-indolylamino)oxycyclobut-3-ene-1,2-dione IUPAC Name: 3-hydroxy-4-(indol-1-ylamino)oxycyclobut-3-ene-1,2-dione Traditional Name: 3-hydroxy-4-(indol-1-ylamino)oxy-cyclobut-3-ene-1,2-quinone Formula: C12H8N2O4 MolecularWeight: 244.20292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2NOC3=C(C(=O)C3=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2NOC3=C(C(=O)C3=O)O

InChI

InChI=1S/C12H8N2O4/c15-9-10(16)12(11(9)17)18-13-14-6-5-7-3-1-2-4-8(7)14/h1-6,13,16H