3-butoxy-4-(4-chlorophenyl)carbonyl-5-nitro-benzoic acid

Systemtic Name: 3-butoxy-4-(4-chlorophenyl)carbonyl-5-nitro-benzoic acid Openeye Name: 3-butoxy-4-(4-chlorobenzoyl)-5-nitro-benzoic acid CAS Name: 3-butoxy-4-[(4-chlorophenyl)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-butoxy-4-(4-chlorobenzoyl)-5-nitrobenzoic acid Traditional Name: 3-butoxy-4-(4-chlorobenzoyl)-5-nitro-benzoic acid Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCOC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16ClNO6/c1-2-3-8-26-15-10-12(18(22)23)9-14(20(24)25)16(15)17(21)11-4-6-13(19)7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,22,23)