ethyl 2-[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl]-2-nitro-ethanoate

Systemtic Name: ethyl 2-[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl]-2-nitro-ethanoate Openeye Name: ethyl 2-[(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl]-2-nitro-acetate CAS Name: 2-[(1S,4R)-4-(2-amino-6-chloro-9-purinyl)-1-cyclopent-2-enyl]-2-nitroacetic acid ethyl ester IUPAC Name: ethyl 2-[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]-2-nitroacetate Traditional Name: 2-[(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl]-2-nitro-acetic acid ethyl ester Formula: C14H15ClN6O4 MolecularWeight: 366.7597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC(C=C1)N2C=NC3=C2N=C(N=C3Cl)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C([C@H]1C[C@H](C=C1)N2C=NC3=C2N=C(N=C3Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN6O4/c1-2-25-13(22)10(21(23)24)7-3-4-8(5-7)20-6-17-9-11(15)18-14(16)19-12(9)20/h3-4,6-8,10H,2,5H2,1H3,(H2,16,18,19)/t7-,8+,10?/m1/s1