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

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-methylbenzoate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C20H15NO4 MolecularWeight: 333.3374

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO4/c1-12-5-7-13(8-6-12)20(24)25-17-4-2-3-14-18(17)16(22)11-15(19(14)23)21-9-10-21/h2-8,11H,9-10H2,1H3