N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2,4-dinitro-aniline

Systemtic Name: N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2,4-dinitro-aniline Openeye Name: N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2,4-dinitro-aniline CAS Name: N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2,4-dinitroaniline IUPAC Name: N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]amine Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=C(CCC1(C)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(CC2)C=C(C=C4)OC

Isomeric SMILES

CCC[C@H]1C2=C(CC[C@]1(C)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(CC2)C=C(C=C4)OC

InChI

InChI=1S/C26H31N3O5/c1-4-5-23-22-9-6-17-14-19(34-3)8-10-20(17)21(22)12-13-26(23,2)16-27-24-11-7-18(28(30)31)15-25(24)29(32)33/h7-8,10-11,14-15,23,27H,4-6,9,12-13,16H2,1-3H3/t23-,26+/m0/s1