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

Systemtic Name: diethyl (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)but-2-enedioate Openeye Name: diethyl (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 diethyl ester IUPAC Name: diethyl (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 diethyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)N1C2C1C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CCOC(=O)/C=C(\C(=O)OCC)/N1C2C1C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C22H21NO4/c1-3-26-19(24)13-18(22(25)27-4-2)23-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)21(20)23/h5-13,20-21H,3-4H2,1-2H3/b18-13+