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1-nitrobenzo[a]pyren-10-ol

1-nitrobenzo[a]pyren-10-ol

Systemtic Name:1-nitrobenzo[a]pyren-10-ol
Openeye Name:1-nitrobenzo[a]pyren-10-ol
CAS Name:1-nitro-10-benzo[a]pyrenol
IUPAC Name:1-nitrobenzo[a]pyren-10-ol
Traditional Name:1-nitrobenzo[a]pyren-10-ol
Formula: C20H11NO3
MolecularWeight: 313.30624
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C4C(=C2C(=C1)O)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC2=CC3=C4C(=C2C(=C1)O)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-]


InChI

InChI=1S/C20H11NO3/c22-17-3-1-2-12-10-13-5-4-11-6-9-16(21(23)24)14-7-8-15(18(12)17)20(13)19(11)14/h1-10,22H


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