3-nitrobenzo[a]pyrene

Systemtic Name: 3-nitrobenzo[a]pyrene Openeye Name: 3-nitrobenzo[a]pyrene CAS Name: 3-nitrobenzo[a]pyrene IUPAC Name: 3-nitrobenzo[a]pyrene Traditional Name: 3-nitrobenzo[a]pyrene Formula: C20H11NO2 MolecularWeight: 297.30684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H11NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H