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

Systemtic Name: [3-[(4-chloranyl-3-nitro-phenyl)methyl]-5-oxidanyl-1H-indol-2-yl] hydrogen carbonate Openeye Name: [3-[(4-chloro-3-nitro-phenyl)methyl]-5-hydroxy-1H-indol-2-yl] hydrogen carbonate CAS Name: carbonic acid [3-[(4-chloro-3-nitrophenyl)methyl]-5-hydroxy-1H-indol-2-yl] ester IUPAC Name: [3-[(4-chloro-3-nitrophenyl)methyl]-5-hydroxy-1H-indol-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(4-chloro-3-nitro-benzyl)-5-hydroxy-1H-indol-2-yl] ester Formula: C16H11ClN2O6 MolecularWeight: 362.72134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C(NC3=C2C=C(C=C3)O)OC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1CC2=C(NC3=C2C=C(C=C3)O)OC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O6/c17-12-3-1-8(6-14(12)19(23)24)5-11-10-7-9(20)2-4-13(10)18-15(11)25-16(21)22/h1-4,6-7,18,20H,5H2,(H,21,22)