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

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-methoxybenzoate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C(=O)C(=C(C3=O)N4CC4)N5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C(=O)C(=C(C3=O)N4CC4)N5CC5

InChI

InChI=1S/C22H18N2O5/c1-28-14-7-5-13(6-8-14)22(27)29-16-4-2-3-15-17(16)21(26)19(24-11-12-24)18(20(15)25)23-9-10-23/h2-8H,9-12H2,1H3