[6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C22H19NO7 MolecularWeight: 409.38876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC3=C2C(=O)C=C(C3=O)N4CC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC3=C2C(=O)C=C(C3=O)N4CC4

InChI

InChI=1S/C22H19NO7/c1-27-17-9-12(10-18(28-2)21(17)29-3)22(26)30-16-6-4-5-13-19(16)15(24)11-14(20(13)25)23-7-8-23/h4-6,9-11H,7-8H2,1-3H3