6-chloranyl-1-nitro-benzo[a]pyrene

Systemtic Name: 6-chloranyl-1-nitro-benzo[a]pyrene Openeye Name: 6-chloro-1-nitro-benzo[a]pyrene CAS Name: 6-chloro-1-nitrobenzo[a]pyrene IUPAC Name: 6-chloro-1-nitrobenzo[a]pyrene Traditional Name: 6-chloro-1-nitro-benzo[a]pyrene Formula: C20H10ClNO2 MolecularWeight: 331.7519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2Cl)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2Cl)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3

InChI

InChI=1S/C20H10ClNO2/c21-20-14-4-2-1-3-12(14)13-8-9-15-17(22(23)24)10-6-11-5-7-16(20)19(13)18(11)15/h1-10H