[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-methylbenzoate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-methylbenzoate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C(=O)C(=C(C3=O)N4CC4)N5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C(=O)C(=C(C3=O)N4CC4)N5CC5

InChI

InChI=1S/C22H18N2O4/c1-13-5-7-14(8-6-13)22(27)28-16-4-2-3-15-17(16)21(26)19(24-11-12-24)18(20(15)25)23-9-10-23/h2-8H,9-12H2,1H3