2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-azanyl-5-nitro-benzoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-azanyl-5-nitro-benzoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C16H16N6O6 MolecularWeight: 388.33484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H16N6O6/c1-19-13-12(14(23)20(2)16(19)25)21(8-18-13)5-6-28-15(24)10-7-9(22(26)27)3-4-11(10)17/h3-4,7-8H,5-6,17H2,1-2H3