3-nitrobenzo[a]pyrene-6-carboxylic acid

Systemtic Name: 3-nitrobenzo[a]pyrene-6-carboxylic acid Openeye Name: 3-nitrobenzo[a]pyrene-6-carboxylic acid CAS Name: 3-nitro-6-benzo[a]pyrenecarboxylic acid IUPAC Name: 3-nitrobenzo[a]pyrene-6-carboxylic acid Traditional Name: 3-nitrobenzo[a]pyrene-6-carboxylic acid Formula: C21H11NO4 MolecularWeight: 341.31634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11NO4/c23-21(24)20-13-4-2-1-3-12(13)14-7-5-11-6-10-17(22(25)26)15-8-9-16(20)19(14)18(11)15/h1-10H,(H,23,24)