methyl (Z)-4-nitro-5-pyren-1-yl-pent-4-enoate

Systemtic Name: methyl (Z)-4-nitro-5-pyren-1-yl-pent-4-enoate Openeye Name: methyl (Z)-4-nitro-5-pyren-1-yl-pent-4-enoate CAS Name: (Z)-4-nitro-5-(1-pyrenyl)-4-pentenoic acid methyl ester IUPAC Name: methyl (Z)-4-nitro-5-pyren-1-ylpent-4-enoate Traditional Name: (Z)-4-nitro-5-pyren-1-yl-pent-4-enoic acid methyl ester Formula: C22H17NO4 MolecularWeight: 359.37468

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

InChI

InChI=1S/C22H17NO4/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/h2-9,11,13H,10,12H2,1H3/b18-13-