[(3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenyl-methanone

Systemtic Name: [(3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenyl-methanone Openeye Name: [(3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenyl-methanone CAS Name: [(3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenylmethanone IUPAC Name: [(3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenylmethanone Traditional Name: [(3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydroindoxazen-7a-yl]-phenyl-methanone Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2(C(C1)(C(=NO2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC[C@@]2([C@](C1)(C(=NO2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4/c1-15-12-13-21(19(24)17-10-6-3-7-11-17)20(14-15,23(25)26)18(22-27-21)16-8-4-2-5-9-16/h2-12H,13-14H2,1H3/t20-,21-/m0/s1