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

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-chloranylbenzoate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OC(=O)C4=CC=C(C=C4)Cl)N5CC5

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OC(=O)C4=CC=C(C=C4)Cl)N5CC5

InChI

InChI=1S/C21H15ClN2O4/c22-13-6-4-12(5-7-13)21(27)28-15-3-1-2-14-16(15)20(26)18(24-10-11-24)17(19(14)25)23-8-9-23/h1-7H,8-11H2