[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] benzoate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] benzoate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] benzoate CAS Name: benzoic acid [6,7-bis(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6,7-bis(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] benzoate Traditional Name: benzoic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C21H16N2O4 MolecularWeight: 360.36274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OC(=O)C4=CC=CC=C4)N5CC5

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OC(=O)C4=CC=CC=C4)N5CC5

InChI

InChI=1S/C21H16N2O4/c24-19-14-7-4-8-15(27-21(26)13-5-2-1-3-6-13)16(14)20(25)18(23-11-12-23)17(19)22-9-10-22/h1-8H,9-12H2