(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C21H17N3O5/c1-10(2)20-23-15(29-24-20)9-28-21(27)14-8-7-13-16(17(14)22)19(26)12-6-4-3-5-11(12)18(13)25/h3-8,10H,9,22H2,1-2H3