(5aR,11aS)-2-nitro-5a,6,11,11a-tetrahydrobenzo[b]xanthen-12-one

Systemtic Name: (5aR,11aS)-2-nitro-5a,6,11,11a-tetrahydrobenzo[b]xanthen-12-one Openeye Name: (5aR,11aS)-2-nitro-5a,6,11,11a-tetrahydrobenzo[b]xanthen-12-one CAS Name: (5aR,11aS)-2-nitro-5a,6,11,11a-tetrahydrobenzo[b]xanthen-12-one IUPAC Name: (5aR,11aS)-2-nitro-5a,6,11,11a-tetrahydrobenzo[b]xanthen-12-one Traditional Name: (5aR,11aS)-2-nitro-5a,6,11,11a-tetrahydrobenzo[b]xanthen-12-one Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(CC3=CC=CC=C31)OC4=C(C2=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@H]2[C@@H](CC3=CC=CC=C31)OC4=C(C2=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO4/c19-17-13-7-10-3-1-2-4-11(10)8-16(13)22-15-6-5-12(18(20)21)9-14(15)17/h1-6,9,13,16H,7-8H2/t13-,16+/m0/s1