N-[(4S)-6,7-dimethyl-1,2,3,4-tetrahydrophenanthren-4-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4S)-6,7-dimethyl-1,2,3,4-tetrahydrophenanthren-4-yl]-3,5-dinitro-benzamide Openeye Name: N-[(4S)-6,7-dimethyl-1,2,3,4-tetrahydrophenanthren-4-yl]-3,5-dinitro-benzamide CAS Name: N-[(4S)-6,7-dimethyl-1,2,3,4-tetrahydrophenanthren-4-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(4S)-6,7-dimethyl-1,2,3,4-tetrahydrophenanthren-4-yl]-3,5-dinitrobenzamide Traditional Name: N-[(4S)-6,7-dimethyl-1,2,3,4-tetrahydrophenanthren-4-yl]-3,5-dinitro-benzamide Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=CC3=C2C(CCC3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=CC3=C2[C@H](CCC3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C23H21N3O5/c1-13-8-16-7-6-15-4-3-5-21(22(15)20(16)9-14(13)2)24-23(27)17-10-18(25(28)29)12-19(11-17)26(30)31/h6-12,21H,3-5H2,1-2H3,(H,24,27)/t21-/m0/s1