methyl 4-nitro-5-pyren-1-yl-pentanoate

Systemtic Name: methyl 4-nitro-5-pyren-1-yl-pentanoate Openeye Name: methyl 4-nitro-5-pyren-1-yl-pentanoate CAS Name: 4-nitro-5-(1-pyrenyl)pentanoic acid methyl ester IUPAC Name: methyl 4-nitro-5-pyren-1-ylpentanoate Traditional Name: 4-nitro-5-pyren-1-yl-valeric acid methyl ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO4/c1-27-20(24)12-10-18(23(25)26)13-17-8-7-16-6-5-14-3-2-4-15-9-11-19(17)22(16)21(14)15/h2-9,11,18H,10,12-13H2,1H3