3-nitro-9,10-dihydro-8H-benzo[a]pyren-7-one

Systemtic Name: 3-nitro-9,10-dihydro-8H-benzo[a]pyren-7-one Openeye Name: 3-nitro-9,10-dihydro-8H-benzo[a]pyren-7-one CAS Name: 3-nitro-9,10-dihydro-8H-benzo[a]pyren-7-one IUPAC Name: 3-nitro-9,10-dihydro-8H-benzo[a]pyren-7-one Traditional Name: 3-nitro-9,10-dihydro-8H-benzo[a]pyren-7-one Formula: C20H13NO3 MolecularWeight: 315.32212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C20H13NO3/c22-18-3-1-2-13-14-7-4-11-6-9-17(21(23)24)15-8-5-12(10-16(13)18)20(14)19(11)15/h4-10H,1-3H2