2-bromoethyl 3-[3-(dimethylamino)propylamino]-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrole-9-carboxylate

Systemtic Name: 2-bromoethyl 3-[3-(dimethylamino)propylamino]-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrole-9-carboxylate Openeye Name: 2-bromoethyl 3-[3-(dimethylamino)propylamino]-8-oxo-acenaphthyleno[1,2-b]pyrrole-9-carboxylate CAS Name: 3-[3-(dimethylamino)propylamino]-8-oxo-9-acenaphthyleno[1,2-b]pyrrolecarboxylic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 3-[3-(dimethylamino)propylamino]-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carboxylate Traditional Name: 3-[3-(dimethylamino)propylamino]-8-keto-acenaphtho[1,2-b]pyrrole-9-carboxylic acid 2-bromoethyl ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C=CC=C3C2=C(C=C1)C4=C(C(=O)N=C34)C(=O)OCCBr

Isomeric SMILES

CN(C)CCCNC1=C2C=CC=C3C2=C(C=C1)C4=C(C(=O)N=C34)C(=O)OCCBr

InChI

InChI=1S/C22H22BrN3O3/c1-26(2)11-4-10-24-16-8-7-14-17-13(16)5-3-6-15(17)20-18(14)19(21(27)25-20)22(28)29-12-9-23/h3,5-8,24H,4,9-12H2,1-2H3