[3-[(4-methyl-3-nitro-phenyl)methyl]-5-oxidanyl-1H-indol-2-yl] hydrogen carbonate

Systemtic Name: [3-[(4-methyl-3-nitro-phenyl)methyl]-5-oxidanyl-1H-indol-2-yl] hydrogen carbonate Openeye Name: [5-hydroxy-3-[(4-methyl-3-nitro-phenyl)methyl]-1H-indol-2-yl] hydrogen carbonate CAS Name: carbonic acid [5-hydroxy-3-[(4-methyl-3-nitrophenyl)methyl]-1H-indol-2-yl] ester IUPAC Name: [5-hydroxy-3-[(4-methyl-3-nitrophenyl)methyl]-1H-indol-2-yl] hydrogen carbonate Traditional Name: carbonic acid [5-hydroxy-3-(4-methyl-3-nitro-benzyl)-1H-indol-2-yl] ester Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(NC3=C2C=C(C=C3)O)OC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(NC3=C2C=C(C=C3)O)OC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6/c1-9-2-3-10(7-15(9)19(23)24)6-13-12-8-11(20)4-5-14(12)18-16(13)25-17(21)22/h2-5,7-8,18,20H,6H2,1H3,(H,21,22)