1-[(E)-hex-1-en-5-ynyl]-3-[(2-nitrophenyl)methoxy]-6,6a,7,8,9,10a-hexahydro-5H-phenanthridin-10-one

Systemtic Name: 1-[(E)-hex-1-en-5-ynyl]-3-[(2-nitrophenyl)methoxy]-6,6a,7,8,9,10a-hexahydro-5H-phenanthridin-10-one Openeye Name: 1-[(E)-hex-1-en-5-ynyl]-3-[(2-nitrophenyl)methoxy]-6,6a,7,8,9,10a-hexahydro-5H-phenanthridin-10-one CAS Name: 1-[(E)-hex-1-en-5-ynyl]-3-[(2-nitrophenyl)methoxy]-6,6a,7,8,9,10a-hexahydro-5H-phenanthridin-10-one IUPAC Name: 1-[(E)-hex-1-en-5-ynyl]-3-[(2-nitrophenyl)methoxy]-6,6a,7,8,9,10a-hexahydro-5H-phenanthridin-10-one Traditional Name: 1-[(E)-hex-1-en-5-ynyl]-3-(2-nitrobenzyl)oxy-6,6a,7,8,9,10a-hexahydro-5H-phenanthridin-10-one Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC=CC1=CC(=CC2=C1C3C(CCCC3=O)CN2)OCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C#CCC/C=C/C1=CC(=CC2=C1C3C(CCCC3=O)CN2)OCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O4/c1-2-3-4-5-9-18-14-21(32-17-20-10-6-7-12-23(20)28(30)31)15-22-25(18)26-19(16-27-22)11-8-13-24(26)29/h1,5-7,9-10,12,14-15,19,26-27H,3-4,8,11,13,16-17H2/b9-5+