4-(1-chloroethyl)-3-nitro-benzoic acid

Systemtic Name: 4-(1-chloroethyl)-3-nitro-benzoic acid Openeye Name: 4-(1-chloroethyl)-3-nitro-benzoic acid CAS Name: 4-(1-chloroethyl)-3-nitrobenzoic acid IUPAC Name: 4-(1-chloroethyl)-3-nitrobenzoic acid Traditional Name: 4-(1-chloroethyl)-3-nitro-benzoic acid Formula: C9H8ClNO4 MolecularWeight: 229.61712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClNO4/c1-5(10)7-3-2-6(9(12)13)4-8(7)11(14)15/h2-5H,1H3,(H,12,13)