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

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] adamantane-1-carboxylate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic 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] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OC(=O)C45CC6CC(C4)CC(C6)C5)N7CC7

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OC(=O)C45CC6CC(C4)CC(C6)C5)N7CC7

InChI

InChI=1S/C25H26N2O4/c28-22-17-2-1-3-18(19(17)23(29)21(27-6-7-27)20(22)26-4-5-26)31-24(30)25-11-14-8-15(12-25)10-16(9-14)13-25/h1-3,14-16H,4-13H2