3-nitrobenzo[a]pyrene-6-carbonitrile

Systemtic Name: 3-nitrobenzo[a]pyrene-6-carbonitrile Openeye Name: 3-nitrobenzo[a]pyrene-6-carbonitrile CAS Name: 3-nitro-6-benzo[a]pyrenecarbonitrile IUPAC Name: 3-nitrobenzo[a]pyrene-6-carbonitrile Traditional Name: 3-nitrobenzo[a]pyrene-6-carbonitrile Formula: C21H10N2O2 MolecularWeight: 322.3163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H10N2O2/c22-11-18-14-4-2-1-3-13(14)15-7-5-12-6-10-19(23(24)25)17-9-8-16(18)21(15)20(12)17/h1-10H