2-chloroethyl 4-methyl-3-nitro-benzoate

Systemtic Name: 2-chloroethyl 4-methyl-3-nitro-benzoate Openeye Name: 2-chloroethyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 2-chloroethyl ester Formula: C10H10ClNO4 MolecularWeight: 243.6437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCl)[N+](=O)[O-]

InChI

InChI=1S/C10H10ClNO4/c1-7-2-3-8(6-9(7)12(14)15)10(13)16-5-4-11/h2-3,6H,4-5H2,1H3