2-[7-nitro-1-(5-phosphonooxypentanoyl)-2,3-dihydroindol-5-yl]ethanoic acid

Systemtic Name: 2-[7-nitro-1-(5-phosphonooxypentanoyl)-2,3-dihydroindol-5-yl]ethanoic acid Openeye Name: 2-[7-nitro-1-(5-phosphonooxypentanoyl)indolin-5-yl]acetic acid CAS Name: 2-[7-nitro-1-(1-oxo-5-phosphonooxypentyl)-2,3-dihydroindol-5-yl]acetic acid IUPAC Name: 2-[7-nitro-1-(5-phosphonooxypentanoyl)-2,3-dihydroindol-5-yl]acetic acid Traditional Name: 2-[7-nitro-1-(5-phosphonooxypentanoyl)indolin-5-yl]acetic acid Formula: C15H19N2O9P MolecularWeight: 402.293121

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C21)CC(=O)O)[N+](=O)[O-])C(=O)CCCCOP(=O)(O)O

Isomeric SMILES

C1CN(C2=C(C=C(C=C21)CC(=O)O)[N+](=O)[O-])C(=O)CCCCOP(=O)(O)O

InChI

InChI=1S/C15H19N2O9P/c18-13(3-1-2-6-26-27(23,24)25)16-5-4-11-7-10(9-14(19)20)8-12(15(11)16)17(21)22/h7-8H,1-6,9H2,(H,19,20)(H2,23,24,25)