[4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] hydrogen carbonate

Systemtic Name: [4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] hydrogen carbonate Openeye Name: [4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] hydrogen carbonate CAS Name: carbonic acid [4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] ester IUPAC Name: [4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] ester Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)OC(=O)O)C2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)OC(=O)O)C2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O5/c1-7-12(17(20)21)11(9-4-3-5-10(15)6-9)13(8(2)16-7)22-14(18)19/h3-6,11,16H,1-2H3,(H,18,19)