dipropan-2-yl (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)but-2-enedioate

Systemtic Name: dipropan-2-yl (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)but-2-enedioate Openeye Name: diisopropyl (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)but-2-enedioate CAS Name: (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)-2-butenedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)but-2-enedioate Traditional Name: (E)-2-(1a,9b-dihydrophenanthr[9,10-b]azirin-1-yl)but-2-enedioic acid diisopropyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C=C(C(=O)OC(C)C)N1C2C1C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)OC(=O)/C=C(\C(=O)OC(C)C)/N1C2C1C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C24H25NO4/c1-14(2)28-21(26)13-20(24(27)29-15(3)4)25-22-18-11-7-5-9-16(18)17-10-6-8-12-19(17)23(22)25/h5-15,22-23H,1-4H3/b20-13+