[2-(1-chloroethyl)-4-nitro-phenyl] hydrogen carbonate

Systemtic Name: [2-(1-chloroethyl)-4-nitro-phenyl] hydrogen carbonate Openeye Name: [2-(1-chloroethyl)-4-nitro-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-(1-chloroethyl)-4-nitrophenyl] ester IUPAC Name: [2-(1-chloroethyl)-4-nitrophenyl] hydrogen carbonate Traditional Name: carbonic acid [2-(1-chloroethyl)-4-nitro-phenyl] ester Formula: C9H8ClNO5 MolecularWeight: 245.61652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)O)Cl

Isomeric SMILES

CC(C1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)O)Cl

InChI

InChI=1S/C9H8ClNO5/c1-5(10)7-4-6(11(14)15)2-3-8(7)16-9(12)13/h2-5H,1H3,(H,12,13)