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6-nitrobenzo[a]pyren-1-amine

6-nitrobenzo[a]pyren-1-amine

Systemtic Name:6-nitrobenzo[a]pyren-1-amine
Openeye Name:6-nitrobenzo[a]pyren-1-amine
CAS Name:6-nitro-1-benzo[a]pyrenamine
IUPAC Name:6-nitrobenzo[a]pyren-1-amine
Traditional Name:(6-nitrobenzo[a]pyren-1-yl)amine
Formula: C20H12N2O2
MolecularWeight: 312.32148
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2[N+](=O)[O-])C=CC5=C4C(=C(C=C5)N)C=C3


Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2[N+](=O)[O-])C=CC5=C4C(=C(C=C5)N)C=C3


InChI

InChI=1S/C20H12N2O2/c21-17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22(23)24/h1-10H,21H2


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