[2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-methoxy-4-(3-oxobutyl)phenyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-methoxy-4-(3-oxobutyl)phenyl] ester IUPAC Name: [2-methoxy-4-(3-oxobutyl)phenyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [4-(3-ketobutyl)-2-methoxy-phenyl] ester Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)CCC1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16ClNO6/c1-11(21)3-4-12-5-8-16(17(9-12)25-2)26-18(22)14-7-6-13(19)10-15(14)20(23)24/h5-10H,3-4H2,1-2H3