[[(2R,3R,5S)-3-acetyloxy-5-[4,6-bis(azanyl)-5-nitro-pyrrolo[3,2-c]pyridin-7-yl]-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl] ethanoate

Systemtic Name: [[(2R,3R,5S)-3-acetyloxy-5-[4,6-bis(azanyl)-5-nitro-pyrrolo[3,2-c]pyridin-7-yl]-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl] ethanoate Openeye Name: [[(2R,3R,5S)-3-acetoxy-5-(4,6-diamino-5-nitro-pyrrolo[3,2-c]pyridin-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl] acetate CAS Name: acetic acid [[(2R,3R,5S)-3-acetyloxy-5-(4,6-diamino-5-nitro-7-pyrrolo[3,2-c]pyridinyl)-3-hydroxy-2-oxolanyl]-hydroxymethyl] ester IUPAC Name: [[(2R,3R,5S)-3-acetyloxy-5-(4,6-diamino-5-nitropyrrolo[3,2-c]pyridin-7-yl)-3-hydroxyoxolan-2-yl]-hydroxymethyl] acetate Traditional Name: acetic acid [[(2R,3R,5S)-3-acetoxy-5-(4,6-diamino-5-nitro-pyrrolo[3,2-c]pyridin-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl] ester Formula: C16H19N5O9 MolecularWeight: 425.35016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1C(CC(O1)C2=C(N(C(=C3C2=NC=C3)N)[N+](=O)[O-])N)(O)OC(=O)C)O

Isomeric SMILES

CC(=O)OC([C@@H]1[C@](C[C@H](O1)C2=C(N(C(=C3C2=NC=C3)N)[N+](=O)[O-])N)(O)OC(=O)C)O

InChI

InChI=1S/C16H19N5O9/c1-6(22)28-15(24)12-16(25,30-7(2)23)5-9(29-12)10-11-8(3-4-19-11)13(17)20(14(10)18)21(26)27/h3-4,9,12,15,24-25H,5,17-18H2,1-2H3/t9-,12+,15?,16+/m0/s1