6-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene

Systemtic Name: 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene Openeye Name: 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene CAS Name: 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene IUPAC Name: 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene Traditional Name: 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene Formula: C20H15NO2 MolecularWeight: 301.3386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C4C(=C2[N+](=O)[O-])C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1CCC2=C(C1)C3=C4C(=C2[N+](=O)[O-])C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C20H15NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h3-5,8-11H,1-2,6-7H2