1-[1-[(4-chloranyl-2-nitro-phenyl)methyl]pyrrol-2-yl]ethanone; ethyl N-methylcarbamate

Systemtic Name: 1-[1-[(4-chloranyl-2-nitro-phenyl)methyl]pyrrol-2-yl]ethanone; ethyl N-methylcarbamate Openeye Name: 1-[1-[(4-chloro-2-nitro-phenyl)methyl]pyrrol-2-yl]ethanone; ethyl N-methylcarbamate CAS Name: 1-[1-[(4-chloro-2-nitrophenyl)methyl]-2-pyrrolyl]ethanone; N-methylcarbamic acid ethyl ester IUPAC Name: 1-[1-[(4-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]ethanone; ethyl N-methylcarbamate Traditional Name: 1-[1-(4-chloro-2-nitro-benzyl)pyrrol-2-yl]ethanone; N-methylcarbamic acid ethyl ester Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC.CC(=O)C1=CC=CN1CC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC.CC(=O)C1=CC=CN1CC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN2O3.C4H9NO2/c1-9(17)12-3-2-6-15(12)8-10-4-5-11(14)7-13(10)16(18)19;1-3-7-4(6)5-2/h2-7H,8H2,1H3;3H2,1-2H3,(H,5,6)